N-(furan-2-ylmethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide

C13H16N4O2 — CID 109247083

IUPACN-(furan-2-ylmethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
SMILESCC(C)Nc1ncc(C(=O)NCc2ccco2)cn1
InChIInChI=1S/C13H16N4O2/c1-9(2)17-13-15-6-10(7-16-13)12(18)14-8-11-4-3-5-19-11/h3-7,9H,8H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyLCKJPLQEGUVJFP-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.82
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide

N-(furan-2-ylmethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide (PubChem CID 109247083) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
PubChem CID109247083
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-(furan-2-ylmethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
SMILESCC(C)Nc1ncc(C(=O)NCc2ccco2)cn1
InChIInChI=1S/C13H16N4O2/c1-9(2)17-13-15-6-10(7-16-13)12(18)14-8-11-4-3-5-19-11/h3-7,9H,8H2,1-2H3,(H,14,18)(H,15,16,17)
InChIKeyLCKJPLQEGUVJFP-UHFFFAOYSA-N
XLogP1.82
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)ethyl]-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 74233042
2-(4-acetylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109254991
2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109253483
2-(2,3-dimethylanilino)-N-(furan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109254949
N-(furan-2-ylmethyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319274
N-(furan-2-ylmethyl)-N-(3-methylbutan-2-yl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 46982169
N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109254883
N-butyl-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109248063
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
N-(furan-2-ylmethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254918
N-(furan-2-ylmethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959394
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide (CID 109247083) is N-(furan-2-ylmethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide is CC(C)Nc1ncc(C(=O)NCc2ccco2)cn1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
The InChIKey is LCKJPLQEGUVJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9(2)17-13-15-6-10(7-16-13)12(18)14-8-11-4-3-5-19-11/h3-7,9H,8H2,1-2H3,(H,14,18)(H,15,16,17).
What are the key properties of N-(furan-2-ylmethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide?
N-(furan-2-ylmethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109247083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).