2-[2-[[2-amino-6-(3,5-dimethylphenyl)pyrimidin-4-yl]amino]ethylamino]pyrimidine-4-carboxamide

C19H22N8O — CID 174851783

IUPAC2-[2-[[2-amino-6-(3,5-dimethylphenyl)pyrimidin-4-yl]amino]ethylamino]pyrimidine-4-carboxamide
SMILESCc1cc(C)cc(-c2cc(NCCNc3nccc(C(N)=O)n3)nc(N)n2)c1
InChIInChI=1S/C19H22N8O/c1-11-7-12(2)9-13(8-11)15-10-16(27-18(21)25-15)22-5-6-24-19-23-4-3-14(26-19)17(20)28/h3-4,7-10H,5-6H2,1-2H3,(H2,20,28)(H,23,24,26)(H3,21,22,25,27)
InChIKeyUCZWOLWIGGAGDP-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.76
Rot. Bonds7

About 2-[2-[[2-amino-6-(3,5-dimethylphenyl)pyrimidin-4-yl]amino]ethylamino]pyrimidine-4-carboxamide

2-[2-[[2-amino-6-(3,5-dimethylphenyl)pyrimidin-4-yl]amino]ethylamino]pyrimidine-4-carboxamide (PubChem CID 174851783) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-[2-[[2-amino-6-(3,5-dimethylphenyl)pyrimidin-4-yl]amino]ethylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-[[2-amino-6-(3,5-dimethylphenyl)pyrimidin-4-yl]amino]ethylamino]pyrimidine-4-carboxamide
PubChem CID174851783
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name2-[2-[[2-amino-6-(3,5-dimethylphenyl)pyrimidin-4-yl]amino]ethylamino]pyrimidine-4-carboxamide
SMILESCc1cc(C)cc(-c2cc(NCCNc3nccc(C(N)=O)n3)nc(N)n2)c1
InChIInChI=1S/C19H22N8O/c1-11-7-12(2)9-13(8-11)15-10-16(27-18(21)25-15)22-5-6-24-19-23-4-3-14(26-19)17(20)28/h3-4,7-10H,5-6H2,1-2H3,(H2,20,28)(H,23,24,26)(H3,21,22,25,27)
InChIKeyUCZWOLWIGGAGDP-UHFFFAOYSA-N
XLogP1.76
TPSA144.73 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 174852539
4-N-(3-aminopropyl)-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 174775661
4-N-(4-aminobutyl)-6-(3,5-dimethylphenyl)pyrimidine-2,4-diamine
CID 174851741
6-[2-[[2-amino-6-(3,5-dimethylphenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-sulfonamide
CID 174852454
3-[[2-amino-6-(3,5-dimethylphenyl)pyrimidin-4-yl]amino]propyl 4-sulfamoylbenzenesulfonate
CID 174933868
5-[2-[[2-amino-6-(3,5-dimethylphenyl)pyrimidin-4-yl]amino]ethylamino]pyridine-3-sulfonamide
CID 175308496
5-[(2-amino-6-methylpyrimidin-4-yl)amino]pentanamide
CID 106241520
6-(3,5-dimethylphenyl)-4-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]pyrimidine-2,4-diamine
CID 174775657
N-[2-[(4-carbamothioylpyrimidin-2-yl)amino]ethyl]acetamide
CID 107546643
2-(oxetan-3-ylmethylamino)pyrimidine-4-carboxamide
CID 141444837
methyl 2-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethylamino]-6-methylpyrimidine-4-carboxylate
CID 118559487
2-[3-[3-(2-methoxyphenoxy)propylamino]propylamino]pyrimidine-4-carboxamide
CID 19013268

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-amino-6-(3,5-dimethylphenyl)pyrimidin-4-yl]amino]ethylamino]pyrimidine-4-carboxamide?
The IUPAC name of 2-[2-[[2-amino-6-(3,5-dimethylphenyl)pyrimidin-4-yl]amino]ethylamino]pyrimidine-4-carboxamide (CID 174851783) is 2-[2-[[2-amino-6-(3,5-dimethylphenyl)pyrimidin-4-yl]amino]ethylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-[[2-amino-6-(3,5-dimethylphenyl)pyrimidin-4-yl]amino]ethylamino]pyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-[[2-amino-6-(3,5-dimethylphenyl)pyrimidin-4-yl]amino]ethylamino]pyrimidine-4-carboxamide is Cc1cc(C)cc(-c2cc(NCCNc3nccc(C(N)=O)n3)nc(N)n2)c1.
What is the InChIKey of 2-[2-[[2-amino-6-(3,5-dimethylphenyl)pyrimidin-4-yl]amino]ethylamino]pyrimidine-4-carboxamide?
The InChIKey is UCZWOLWIGGAGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O/c1-11-7-12(2)9-13(8-11)15-10-16(27-18(21)25-15)22-5-6-24-19-23-4-3-14(26-19)17(20)28/h3-4,7-10H,5-6H2,1-2H3,(H2,20,28)(H,23,24,26)(H3,21,22,25,27).
What are the key properties of 2-[2-[[2-amino-6-(3,5-dimethylphenyl)pyrimidin-4-yl]amino]ethylamino]pyrimidine-4-carboxamide?
2-[2-[[2-amino-6-(3,5-dimethylphenyl)pyrimidin-4-yl]amino]ethylamino]pyrimidine-4-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 1.76, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-amino-6-(3,5-dimethylphenyl)pyrimidin-4-yl]amino]ethylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 174851783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).