3-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-2-methylbenzonitrile;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-(cyclopropylmethyl)-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]pyrimidin-2-amine

C84H90Cl2F2N22O2S — CID 158830403

About 3-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-2-methylbenzonitrile;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-(cyclopropylmethyl)-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]pyrimidin-2-amine

3-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-2-methylbenzonitrile;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-(cyclopropylmethyl)-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]pyrimidin-2-amine (PubChem CID 158830403) has the molecular formula C84H90Cl2F2N22O2S and a molecular weight of 1580.76 g/mol. Its IUPAC name is 3-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-2-methylbenzonitrile;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-(cyclopropylmethyl)-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: 3-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-2-methylbenzonitrile;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-(cyclopropylmethyl)-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]pyrimidin-2-amine
• PubChem CID: 158830403
• Molecular Formula: C84H90Cl2F2N22O2S
• Molecular Weight: 1580.76 g/mol
• Exact Mass: 1578.67
• IUPAC Name: 3-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-2-methylbenzonitrile;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-(cyclopropylmethyl)-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]pyrimidin-2-amine
• SMILES: C#CCNc1cc(-c2cccc(Cl)c2Cl)nc(N)n1.Cc1c(C#N)cccc1-c1cc(NC2CC2)nc(N)n1.Cc1c(F)ccc(-c2cc(CC3CC3)nc(N)n2)c1C.Cc1cc(-c2cc(NCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)c(C)cc1F.Cc1cccc(-c2cc(CCCc3c(C)n[nH]c3C)nc(N)n2)c1C
• InChI: InChI=1S/C20H22FN5O2S.C20H25N5.C16H18FN3.C15H15N5.C13H10Cl2N4/c1-12-10-17(21)13(2)9-16(12)18-11-19(26-20(22)25-18)24-8-7-14-3-5-15(6-4-14)29(23,27)28;1-12-7-5-9-17(13(12)2)19-11-16(22-20(21)23-19)8-6-10-18-14(3)24-25-15(18)4;1-9-10(2)14(17)6-5-13(9)15-8-12(7-11-3-4-11)19-16(18)20-15;1-9-10(8-16)3-2-4-12(9)13-7-14(18-11-5-6-11)20-15(17)19-13;1-2-6-17-11-7-10(18-13(16)19-11)8-4-3-5-9(14)12(8)15/h3-6,9-11H,7-8H2,1-2H3,(H2,23,27,28)(H3,22,24,25,26);5,7,9,11H,6,8,10H2,1-4H3,(H,24,25)(H2,21,22,23);5-6,8,11H,3-4,7H2,1-2H3,(H2,18,19,20);2-4,7,11H,5-6H2,1H3,(H3,17,18,19,20);1,3-5,7H,6H2,(H3,16,17,18,19)
• InChIKey: IWYWHLWOTHWHIF-UHFFFAOYSA-N
• XLogP: 15.63
• TPSA: 407.72 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1580.76
LogP ≤ 5	15.63
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-2-methylbenzonitrile;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-(cyclopropylmethyl)-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]pyrimidin-2-amine?

The IUPAC name of 3-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-2-methylbenzonitrile;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-(cyclopropylmethyl)-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]pyrimidin-2-amine (CID 158830403) is 3-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-2-methylbenzonitrile;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-(cyclopropylmethyl)-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]pyrimidin-2-amine.

What is the SMILES notation for 3-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-2-methylbenzonitrile;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-(cyclopropylmethyl)-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]pyrimidin-2-amine?

The canonical SMILES for 3-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-2-methylbenzonitrile;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-(cyclopropylmethyl)-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]pyrimidin-2-amine is C#CCNc1cc(-c2cccc(Cl)c2Cl)nc(N)n1.Cc1c(C#N)cccc1-c1cc(NC2CC2)nc(N)n1.Cc1c(F)ccc(-c2cc(CC3CC3)nc(N)n2)c1C.Cc1cc(-c2cc(NCCc3ccc(S(N)(=O)=O)cc3)nc(N)n2)c(C)cc1F.Cc1cccc(-c2cc(CCCc3c(C)n[nH]c3C)nc(N)n2)c1C.

What is the InChIKey of 3-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-2-methylbenzonitrile;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-(cyclopropylmethyl)-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]pyrimidin-2-amine?

The InChIKey is IWYWHLWOTHWHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2S.C20H25N5.C16H18FN3.C15H15N5.C13H10Cl2N4/c1-12-10-17(21)13(2)9-16(12)18-11-19(26-20(22)25-18)24-8-7-14-3-5-15(6-4-14)29(23,27)28;1-12-7-5-9-17(13(12)2)19-11-16(22-20(21)23-19)8-6-10-18-14(3)24-25-15(18)4;1-9-10(2)14(17)6-5-13(9)15-8-12(7-11-3-4-11)19-16(18)20-15;1-9-10(8-16)3-2-4-12(9)13-7-14(18-11-5-6-11)20-15(17)19-13;1-2-6-17-11-7-10(18-13(16)19-11)8-4-3-5-9(14)12(8)15/h3-6,9-11H,7-8H2,1-2H3,(H2,23,27,28)(H3,22,24,25,26);5,7,9,11H,6,8,10H2,1-4H3,(H,24,25)(H2,21,22,23);5-6,8,11H,3-4,7H2,1-2H3,(H2,18,19,20);2-4,7,11H,5-6H2,1H3,(H3,17,18,19,20);1,3-5,7H,6H2,(H3,16,17,18,19).

What are the key properties of 3-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-2-methylbenzonitrile;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-(cyclopropylmethyl)-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]pyrimidin-2-amine?

3-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-2-methylbenzonitrile;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-(cyclopropylmethyl)-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]pyrimidin-2-amine has a molecular weight of 1580.76 g/mol, XLogP of 15.63, 20 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]-2-methylbenzonitrile;4-[2-[[2-amino-6-(4-fluoro-2,5-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide;4-(cyclopropylmethyl)-6-(4-fluoro-2,3-dimethylphenyl)pyrimidin-2-amine;6-(2,3-dichlorophenyl)-4-N-prop-2-ynylpyrimidine-2,4-diamine;4-(2,3-dimethylphenyl)-6-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 158830403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).