N-[2-(3-chlorophenyl)ethyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide

C19H19ClN4O2 — CID 109367979

IUPACN-[2-(3-chlorophenyl)ethyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccco2)cc(C(=O)NCCc2cccc(Cl)c2)n1
InChIInChI=1S/C19H19ClN4O2/c1-13-23-17(11-18(24-13)22-12-16-6-3-9-26-16)19(25)21-8-7-14-4-2-5-15(20)10-14/h2-6,9-11H,7-8,12H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyNDHRYVZQCWOIDF-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.62
Rot. Bonds7

About N-[2-(3-chlorophenyl)ethyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide

N-[2-(3-chlorophenyl)ethyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109367979) has the molecular formula C19H19ClN4O2 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
PubChem CID109367979
Molecular FormulaC19H19ClN4O2
Molecular Weight370.84 g/mol
Exact Mass370.12
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NCc2ccco2)cc(C(=O)NCCc2cccc(Cl)c2)n1
InChIInChI=1S/C19H19ClN4O2/c1-13-23-17(11-18(24-13)22-12-16-6-3-9-26-16)19(25)21-8-7-14-4-2-5-15(20)10-14/h2-6,9-11H,7-8,12H2,1H3,(H,21,25)(H,22,23,24)
InChIKeyNDHRYVZQCWOIDF-UHFFFAOYSA-N
XLogP3.62
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-5-(furan-2-ylmethylamino)pyrazine-2-carboxamide
CID 109279527
N-[2-(3-chlorophenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362010
N-butyl-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109361756
6-[2-(3-chlorophenyl)ethylamino]-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365227
6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109371357
N-[(4-fluorophenyl)methyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109367930
6-(furan-2-ylmethylamino)-2-phenyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 112853897
N-(2-fluorophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368005
6-[2-(3-chlorophenyl)ethylamino]-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360655
6-(furan-2-ylmethylamino)-2-methyl-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109367982
N-(3,4-difluorophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368072
N-(3-bromophenyl)-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide
CID 109368048

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide (CID 109367979) is N-[2-(3-chlorophenyl)ethyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide is Cc1nc(NCc2ccco2)cc(C(=O)NCCc2cccc(Cl)c2)n1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is NDHRYVZQCWOIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O2/c1-13-23-17(11-18(24-13)22-12-16-6-3-9-26-16)19(25)21-8-7-14-4-2-5-15(20)10-14/h2-6,9-11H,7-8,12H2,1H3,(H,21,25)(H,22,23,24).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 3.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-6-(furan-2-ylmethylamino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109367979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).