N-butyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide

C14H24N4O — CID 109296575

IUPACN-butyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1ccnc(NCCC(C)C)n1
InChIInChI=1S/C14H24N4O/c1-4-5-8-15-13(19)12-7-10-17-14(18-12)16-9-6-11(2)3/h7,10-11H,4-6,8-9H2,1-3H3,(H,15,19)(H,16,17,18)
InChIKeyLADMTQPCYMAGAK-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.46
Rot. Bonds8

About N-butyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide

N-butyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide (PubChem CID 109296575) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-butyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
PubChem CID109296575
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-butyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCCCCNC(=O)c1ccnc(NCCC(C)C)n1
InChIInChI=1S/C14H24N4O/c1-4-5-8-15-13(19)12-7-10-17-14(18-12)16-9-6-11(2)3/h7,10-11H,4-6,8-9H2,1-3H3,(H,15,19)(H,16,17,18)
InChIKeyLADMTQPCYMAGAK-UHFFFAOYSA-N
XLogP2.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-methylbutylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307886
2-(3-methylbutylamino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109311740
N-butyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109320680
N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109305403
N-(3-methylbutyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307488
N-(3-methylbutyl)-2-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109295989
2-(3-methylbutylamino)-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109307058
N-[(4-chlorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109306057
N-butyl-2-[(4-fluorophenyl)methylamino]pyrimidine-4-carboxamide
CID 109296526
N-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109303470
N-[2-(3-chlorophenyl)ethyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311741
N-(3-methoxypropyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296702

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-butyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide (CID 109296575) is N-butyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-butyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-butyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide is CCCCNC(=O)c1ccnc(NCCC(C)C)n1.
What is the InChIKey of N-butyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The InChIKey is LADMTQPCYMAGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-5-8-15-13(19)12-7-10-17-14(18-12)16-9-6-11(2)3/h7,10-11H,4-6,8-9H2,1-3H3,(H,15,19)(H,16,17,18).
What are the key properties of N-butyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
N-butyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109296575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).