2-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide

C18H25N5O — CID 109301137

IUPAC2-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccnc(NCCN(C)C)n1
InChIInChI=1S/C18H25N5O/c1-5-14-8-6-7-13(2)16(14)22-17(24)15-9-10-19-18(21-15)20-11-12-23(3)4/h6-10H,5,11-12H2,1-4H3,(H,22,24)(H,19,20,21)
InChIKeyABQWHTXJCUTJDX-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.57
Rot. Bonds7

About 2-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide

2-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide (PubChem CID 109301137) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
PubChem CID109301137
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
SMILESCCc1cccc(C)c1NC(=O)c1ccnc(NCCN(C)C)n1
InChIInChI=1S/C18H25N5O/c1-5-14-8-6-7-13(2)16(14)22-17(24)15-9-10-19-18(21-15)20-11-12-23(3)4/h6-10H,5,11-12H2,1-4H3,(H,22,24)(H,19,20,21)
InChIKeyABQWHTXJCUTJDX-UHFFFAOYSA-N
XLogP2.57
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-diethylphenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109301141
N-[2-(dimethylamino)ethyl]-2-(2-ethyl-6-methylanilino)pyrimidine-4-carboxamide
CID 109301317
N-(2-ethyl-6-methylphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306939
2-(dipropylamino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109312892
2-(4-acetamidoanilino)-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide
CID 109315987
N-(2-ethyl-6-methylphenyl)-2-(4-methoxyanilino)pyrimidine-4-carboxamide
CID 109315975
N-(2-ethyl-6-methylphenyl)-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304772
N-(2,6-dimethylphenyl)-2-(3-methoxypropylamino)pyrimidine-4-carboxamide
CID 109300058
N-(2-chlorophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109301147
N-(3-bromophenyl)-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109301195
2-(benzylamino)-N-(2,6-diethylphenyl)pyrimidine-4-carboxamide
CID 109303665
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109301218

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide (CID 109301137) is 2-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide is CCc1cccc(C)c1NC(=O)c1ccnc(NCCN(C)C)n1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide?
The InChIKey is ABQWHTXJCUTJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-5-14-8-6-7-13(2)16(14)22-17(24)15-9-10-19-18(21-15)20-11-12-23(3)4/h6-10H,5,11-12H2,1-4H3,(H,22,24)(H,19,20,21).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide?
2-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-N-(2-ethyl-6-methylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109301137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).