N-(5-chloro-2-methoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide

C17H15ClN4O3 — CID 109303347

IUPACN-(5-chloro-2-methoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccnc(NCc2ccco2)n1
InChIInChI=1S/C17H15ClN4O3/c1-24-15-5-4-11(18)9-14(15)21-16(23)13-6-7-19-17(22-13)20-10-12-3-2-8-25-12/h2-9H,10H2,1H3,(H,21,23)(H,19,20,22)
InChIKeyTVRWERROMNCNCE-UHFFFAOYSA-N
MW358.79 g/mol
LogP3.60
Rot. Bonds6

About N-(5-chloro-2-methoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide

N-(5-chloro-2-methoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109303347) has the molecular formula C17H15ClN4O3 and a molecular weight of 358.79 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109303347
Molecular FormulaC17H15ClN4O3
Molecular Weight358.79 g/mol
Exact Mass358.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccnc(NCc2ccco2)n1
InChIInChI=1S/C17H15ClN4O3/c1-24-15-5-4-11(18)9-14(15)21-16(23)13-6-7-19-17(22-13)20-10-12-3-2-8-25-12/h2-9H,10H2,1H3,(H,21,23)(H,19,20,22)
InChIKeyTVRWERROMNCNCE-UHFFFAOYSA-N
XLogP3.60
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303517
N-(5-chloro-2-methoxyphenyl)-2-(pentylamino)pyrimidine-4-carboxamide
CID 109312013
N-(2,4-difluorophenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303393
N-(2,3-dichlorophenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303404
2-[(3,4-dimethoxyphenyl)methylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303450
3-N-(5-chloro-2-methoxyphenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054027
N-(5-chloro-2-methylphenyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306192
N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317470
2-(furan-2-ylmethylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303311
5-(furan-2-ylmethylamino)-N-(2-methoxy-5-methylphenyl)pyridine-2-carboxamide
CID 109187758
6-chloro-2-N-(5-chloro-2-methoxyphenyl)-4-N-(furan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 1158968
N-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109306411

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide (CID 109303347) is N-(5-chloro-2-methoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide is COc1ccc(Cl)cc1NC(=O)c1ccnc(NCc2ccco2)n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is TVRWERROMNCNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3/c1-24-15-5-4-11(18)9-14(15)21-16(23)13-6-7-19-17(22-13)20-10-12-3-2-8-25-12/h2-9H,10H2,1H3,(H,21,23)(H,19,20,22).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 358.79 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109303347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).