N,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-[3-(methanesulfonamido)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea

C82H94N22O10S2 — CID 158321774

About N,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-[3-(methanesulfonamido)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea

N,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-[3-(methanesulfonamido)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea (PubChem CID 158321774) has the molecular formula C82H94N22O10S2 and a molecular weight of 1611.93 g/mol. Its IUPAC name is N,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-[3-(methanesulfonamido)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea.

Molecular Properties

• Compound Name: N,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-[3-(methanesulfonamido)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea
• PubChem CID: 158321774
• Molecular Formula: C82H94N22O10S2
• Molecular Weight: 1611.93 g/mol
• Exact Mass: 1610.70
• IUPAC Name: N,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-[3-(methanesulfonamido)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea
• SMILES: CC(=O)CCCNc1cc(C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCC(=O)N(C)C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCCNS(C)(=O)=O)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCCS(C)(=O)=O)nc(NC(=O)Nc2ccc3ccccc3c2)n1
• InChI: InChI=1S/C21H24N6O2.C21H23N5O2.C20H24N6O3S.C20H23N5O3S/c1-14-12-18(22-11-10-19(28)27(2)3)25-20(23-14)26-21(29)24-17-9-8-15-6-4-5-7-16(15)13-17;1-14-12-19(22-11-5-6-15(2)27)25-20(23-14)26-21(28)24-18-10-9-16-7-3-4-8-17(16)13-18;1-14-12-18(21-10-5-11-22-30(2,28)29)25-19(23-14)26-20(27)24-17-9-8-15-6-3-4-7-16(15)13-17;1-14-12-18(21-10-5-11-29(2,27)28)24-19(22-14)25-20(26)23-17-9-8-15-6-3-4-7-16(15)13-17/h4-9,12-13H,10-11H2,1-3H3,(H3,22,23,24,25,26,29);3-4,7-10,12-13H,5-6,11H2,1-2H3,(H3,22,23,24,25,26,28);3-4,6-9,12-13,22H,5,10-11H2,1-2H3,(H3,21,23,24,25,26,27);3-4,6-9,12-13H,5,10-11H2,1-2H3,(H3,21,22,23,24,25,26)
• InChIKey: GOXZWXSNODTAAW-UHFFFAOYSA-N
• XLogP: 14.20
• TPSA: 433.45 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 22
• Rotatable Bonds: 28
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1611.93
LogP ≤ 5	14.20
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-[3-(methanesulfonamido)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea?

The IUPAC name of N,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-[3-(methanesulfonamido)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea (CID 158321774) is N,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-[3-(methanesulfonamido)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea.

What is the SMILES notation for N,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-[3-(methanesulfonamido)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea?

The canonical SMILES for N,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-[3-(methanesulfonamido)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea is CC(=O)CCCNc1cc(C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCC(=O)N(C)C)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCCNS(C)(=O)=O)nc(NC(=O)Nc2ccc3ccccc3c2)n1.Cc1cc(NCCCS(C)(=O)=O)nc(NC(=O)Nc2ccc3ccccc3c2)n1.

What is the InChIKey of N,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-[3-(methanesulfonamido)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea?

The InChIKey is GOXZWXSNODTAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2.C21H23N5O2.C20H24N6O3S.C20H23N5O3S/c1-14-12-18(22-11-10-19(28)27(2)3)25-20(23-14)26-21(29)24-17-9-8-15-6-4-5-7-16(15)13-17;1-14-12-19(22-11-5-6-15(2)27)25-20(23-14)26-21(28)24-18-10-9-16-7-3-4-8-17(16)13-18;1-14-12-18(21-10-5-11-22-30(2,28)29)25-19(23-14)26-20(27)24-17-9-8-15-6-3-4-7-16(15)13-17;1-14-12-18(21-10-5-11-29(2,27)28)24-19(22-14)25-20(26)23-17-9-8-15-6-3-4-7-16(15)13-17/h4-9,12-13H,10-11H2,1-3H3,(H3,22,23,24,25,26,29);3-4,7-10,12-13H,5-6,11H2,1-2H3,(H3,22,23,24,25,26,28);3-4,6-9,12-13,22H,5,10-11H2,1-2H3,(H3,21,23,24,25,26,27);3-4,6-9,12-13H,5,10-11H2,1-2H3,(H3,21,22,23,24,25,26).

What are the key properties of N,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-[3-(methanesulfonamido)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea?

N,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-[3-(methanesulfonamido)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea has a molecular weight of 1611.93 g/mol, XLogP of 14.20, 28 rotatable bonds, 13 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-3-[[6-methyl-2-(naphthalen-2-ylcarbamoylamino)pyrimidin-4-yl]amino]propanamide;1-[4-[3-(methanesulfonamido)propylamino]-6-methylpyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(3-methylsulfonylpropylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea;1-[4-methyl-6-(4-oxopentylamino)pyrimidin-2-yl]-3-naphthalen-2-ylurea is sourced from PubChem (CID 158321774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).