2-(furan-2-ylmethylamino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide

C14H18N4O2 — CID 109319469

IUPAC2-(furan-2-ylmethylamino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)C)nc(NCc2ccco2)n1
InChIInChI=1S/C14H18N4O2/c1-9(2)16-13(19)12-7-10(3)17-14(18-12)15-8-11-5-4-6-20-11/h4-7,9H,8H2,1-3H3,(H,16,19)(H,15,17,18)
InChIKeyGHBZKRVCGKNSIO-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.13
Rot. Bonds5

About 2-(furan-2-ylmethylamino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide

2-(furan-2-ylmethylamino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 109319469) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID109319469
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-(furan-2-ylmethylamino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC(C)C)nc(NCc2ccco2)n1
InChIInChI=1S/C14H18N4O2/c1-9(2)16-13(19)12-7-10(3)17-14(18-12)15-8-11-5-4-6-20-11/h4-7,9H,8H2,1-3H3,(H,16,19)(H,15,17,18)
InChIKeyGHBZKRVCGKNSIO-UHFFFAOYSA-N
XLogP2.13
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319274
2-(furan-2-ylmethylamino)-6-methyl-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109326828
N-(2-ethylphenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide
CID 109326839
N-(3-chlorophenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide
CID 109326853
N-(2,5-dichlorophenyl)-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide
CID 109326904
2-(furan-2-ylmethylamino)-6-methyl-N-(3-phenylpropyl)pyrimidine-4-carboxamide
CID 109326812
6-(furan-2-ylmethylamino)-2-phenyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 112851601
2-(furan-2-ylmethylamino)-N,6-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109326830
2-[(4-chlorophenyl)methylamino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319479
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(furan-2-ylmethylamino)-6-methylpyrimidine-4-carboxamide
CID 109326799
2-(cyclopentylamino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109321927
2-(4-tert-butylanilino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109326998

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-(furan-2-ylmethylamino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide (CID 109319469) is 2-(furan-2-ylmethylamino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(furan-2-ylmethylamino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide is Cc1cc(C(=O)NC(C)C)nc(NCc2ccco2)n1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is GHBZKRVCGKNSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-9(2)16-13(19)12-7-10(3)17-14(18-12)15-8-11-5-4-6-20-11/h4-7,9H,8H2,1-3H3,(H,16,19)(H,15,17,18).
What are the key properties of 2-(furan-2-ylmethylamino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
2-(furan-2-ylmethylamino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109319469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).