2-(benzylamino)-N-(3-chloro-4-methoxyphenyl)pyrimidine-4-carboxamide

C19H17ClN4O2 — CID 109303680

IUPAC2-(benzylamino)-N-(3-chloro-4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(NCc3ccccc3)n2)cc1Cl
InChIInChI=1S/C19H17ClN4O2/c1-26-17-8-7-14(11-15(17)20)23-18(25)16-9-10-21-19(24-16)22-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyMREQBAXEJCNSFF-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.00
Rot. Bonds6

About 2-(benzylamino)-N-(3-chloro-4-methoxyphenyl)pyrimidine-4-carboxamide

2-(benzylamino)-N-(3-chloro-4-methoxyphenyl)pyrimidine-4-carboxamide (PubChem CID 109303680) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-(benzylamino)-N-(3-chloro-4-methoxyphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(benzylamino)-N-(3-chloro-4-methoxyphenyl)pyrimidine-4-carboxamide
PubChem CID109303680
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name2-(benzylamino)-N-(3-chloro-4-methoxyphenyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccnc(NCc3ccccc3)n2)cc1Cl
InChIInChI=1S/C19H17ClN4O2/c1-26-17-8-7-14(11-15(17)20)23-18(25)16-9-10-21-19(24-16)22-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,23,25)(H,21,22,24)
InChIKeyMREQBAXEJCNSFF-UHFFFAOYSA-N
XLogP4.00
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzylamino)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide
CID 109303727
2-[(4-chlorophenyl)methylamino]-N-(3,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109306011
N-(3-chloro-4-methoxyphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311780
2-(benzylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303645
2-[(4-methoxyphenyl)methylamino]-N-phenylpyrimidine-4-carboxamide
CID 109306366
2-N-benzyl-4-N-(3-chloro-4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109085469
2-(benzylamino)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109303743
N-(3-chloro-4-methoxyphenyl)-2-(2-cyanoanilino)pyrimidine-4-carboxamide
CID 109317442
methyl 3-[[2-(benzylamino)pyrimidine-4-carbonyl]amino]-4-chlorobenzoate
CID 109303705
2-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109305811
N-(3-chloro-4-methoxyphenyl)-5-[(4-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189780
N-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306411

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-N-(3-chloro-4-methoxyphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(benzylamino)-N-(3-chloro-4-methoxyphenyl)pyrimidine-4-carboxamide (CID 109303680) is 2-(benzylamino)-N-(3-chloro-4-methoxyphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(benzylamino)-N-(3-chloro-4-methoxyphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(benzylamino)-N-(3-chloro-4-methoxyphenyl)pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2ccnc(NCc3ccccc3)n2)cc1Cl.
What is the InChIKey of 2-(benzylamino)-N-(3-chloro-4-methoxyphenyl)pyrimidine-4-carboxamide?
The InChIKey is MREQBAXEJCNSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-26-17-8-7-14(11-15(17)20)23-18(25)16-9-10-21-19(24-16)22-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,23,25)(H,21,22,24).
What are the key properties of 2-(benzylamino)-N-(3-chloro-4-methoxyphenyl)pyrimidine-4-carboxamide?
2-(benzylamino)-N-(3-chloro-4-methoxyphenyl)pyrimidine-4-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-N-(3-chloro-4-methoxyphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109303680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).