2-[2-(dimethylamino)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

C17H23N5O2 — CID 109324949

IUPAC2-[2-(dimethylamino)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(C)nc(NCCN(C)C)n1
InChIInChI=1S/C17H23N5O2/c1-12-11-14(21-17(19-12)18-9-10-22(2)3)16(23)20-13-7-5-6-8-15(13)24-4/h5-8,11H,9-10H2,1-4H3,(H,20,23)(H,18,19,21)
InChIKeyVROHJLWNYHZDSB-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.02
Rot. Bonds7

About 2-[2-(dimethylamino)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide

2-[2-(dimethylamino)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109324949) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109324949
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-[2-(dimethylamino)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1cc(C)nc(NCCN(C)C)n1
InChIInChI=1S/C17H23N5O2/c1-12-11-14(21-17(19-12)18-9-10-22(2)3)16(23)20-13-7-5-6-8-15(13)24-4/h5-8,11H,9-10H2,1-4H3,(H,20,23)(H,18,19,21)
InChIKeyVROHJLWNYHZDSB-UHFFFAOYSA-N
XLogP2.02
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109324958
N-(2-methoxyphenyl)-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329140
methyl 2-[[2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carbonyl]amino]benzoate
CID 109325521
2-[2-(3-chlorophenyl)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334311
N-(2-cyanophenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325548
2-(2-fluoroanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336731
2-(4-tert-butylanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109336694
2-[butyl(methyl)amino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109333574
2-[3-(dimethylamino)propylamino]-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109325473
N-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109324937
2-(2,6-difluoroanilino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109337483
N-(2,5-dimethoxyphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318998

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide (CID 109324949) is 2-[2-(dimethylamino)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is COc1ccccc1NC(=O)c1cc(C)nc(NCCN(C)C)n1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is VROHJLWNYHZDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12-11-14(21-17(19-12)18-9-10-22(2)3)16(23)20-13-7-5-6-8-15(13)24-4/h5-8,11H,9-10H2,1-4H3,(H,20,23)(H,18,19,21).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide?
2-[2-(dimethylamino)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109324949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).