N-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide

C15H20N4O2 — CID 109303470

IUPACN-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCC(C)CCNc1nccc(C(=O)NCc2ccco2)n1
InChIInChI=1S/C15H20N4O2/c1-11(2)5-7-16-15-17-8-6-13(19-15)14(20)18-10-12-4-3-9-21-12/h3-4,6,8-9,11H,5,7,10H2,1-2H3,(H,18,20)(H,16,17,19)
InChIKeySEEXZYFRKYVCMU-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.46
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide

N-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide (PubChem CID 109303470) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
PubChem CID109303470
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCC(C)CCNc1nccc(C(=O)NCc2ccco2)n1
InChIInChI=1S/C15H20N4O2/c1-11(2)5-7-16-15-17-8-6-13(19-15)14(20)18-10-12-4-3-9-21-12/h3-4,6,8-9,11H,5,7,10H2,1-2H3,(H,18,20)(H,16,17,19)
InChIKeySEEXZYFRKYVCMU-UHFFFAOYSA-N
XLogP2.46
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(dimethylamino)propylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109301688
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303420
2-(3-methylbutylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307058
2-[2-(4-chlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303449
N-benzyl-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303247
N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109305403
N-[(4-chlorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109306057
N-butyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109296575
N-[3-(dimethylamino)propyl]-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109301857
N-[(2-methoxyphenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109306256
2-(3-methylbutylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307886
2-[2-(2,4-dichlorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303478

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide (CID 109303470) is N-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide is CC(C)CCNc1nccc(C(=O)NCc2ccco2)n1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The InChIKey is SEEXZYFRKYVCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11(2)5-7-16-15-17-8-6-13(19-15)14(20)18-10-12-4-3-9-21-12/h3-4,6,8-9,11H,5,7,10H2,1-2H3,(H,18,20)(H,16,17,19).
What are the key properties of N-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
N-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.46, 7 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-(3-methylbutylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109303470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).