2-[butyl(methyl)amino]-N-(2-methylpropyl)pyrimidine-5-carboxamide

C14H24N4O — CID 109248509

IUPAC2-[butyl(methyl)amino]-N-(2-methylpropyl)pyrimidine-5-carboxamide
SMILESCCCCN(C)c1ncc(C(=O)NCC(C)C)cn1
InChIInChI=1S/C14H24N4O/c1-5-6-7-18(4)14-16-9-12(10-17-14)13(19)15-8-11(2)3/h9-11H,5-8H2,1-4H3,(H,15,19)
InChIKeyBXDINRJESCCXRK-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.10
Rot. Bonds7

About 2-[butyl(methyl)amino]-N-(2-methylpropyl)pyrimidine-5-carboxamide

2-[butyl(methyl)amino]-N-(2-methylpropyl)pyrimidine-5-carboxamide (PubChem CID 109248509) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[butyl(methyl)amino]-N-(2-methylpropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[butyl(methyl)amino]-N-(2-methylpropyl)pyrimidine-5-carboxamide
PubChem CID109248509
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[butyl(methyl)amino]-N-(2-methylpropyl)pyrimidine-5-carboxamide
SMILESCCCCN(C)c1ncc(C(=O)NCC(C)C)cn1
InChIInChI=1S/C14H24N4O/c1-5-6-7-18(4)14-16-9-12(10-17-14)13(19)15-8-11(2)3/h9-11H,5-8H2,1-4H3,(H,15,19)
InChIKeyBXDINRJESCCXRK-UHFFFAOYSA-N
XLogP2.10
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butyl(methyl)amino]pyrimidine-5-carboxylic acid
CID 82283844
2-[butyl(methyl)amino]-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109264005
2-[butyl(methyl)amino]-N-[2-(2,4-dichlorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109263983
2-[butyl(methyl)amino]-N-(3-fluorophenyl)pyrimidine-5-carboxamide
CID 109264058
4-N-butyl-4-N-methyl-2-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079822
2-[butyl(methyl)amino]-N-ethyl-N-phenylpyrimidine-5-carboxamide
CID 109264001
4-[butyl(methyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 109058845
2-[butyl(methyl)amino]-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109264034
N-butyl-5-iodo-N-methylpyrimidin-2-amine
CID 115620517
2-[butyl(methyl)amino]-N-(4-chloro-2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide
CID 109264082
N-butyl-2-(dipropylamino)-N-methylpyrimidine-5-carboxamide
CID 109263866
4-[2-[butyl(methyl)amino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 109254354

Frequently Asked Questions

What is the IUPAC name of 2-[butyl(methyl)amino]-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[butyl(methyl)amino]-N-(2-methylpropyl)pyrimidine-5-carboxamide (CID 109248509) is 2-[butyl(methyl)amino]-N-(2-methylpropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[butyl(methyl)amino]-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[butyl(methyl)amino]-N-(2-methylpropyl)pyrimidine-5-carboxamide is CCCCN(C)c1ncc(C(=O)NCC(C)C)cn1.
What is the InChIKey of 2-[butyl(methyl)amino]-N-(2-methylpropyl)pyrimidine-5-carboxamide?
The InChIKey is BXDINRJESCCXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-5-6-7-18(4)14-16-9-12(10-17-14)13(19)15-8-11(2)3/h9-11H,5-8H2,1-4H3,(H,15,19).
What are the key properties of 2-[butyl(methyl)amino]-N-(2-methylpropyl)pyrimidine-5-carboxamide?
2-[butyl(methyl)amino]-N-(2-methylpropyl)pyrimidine-5-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl(methyl)amino]-N-(2-methylpropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109248509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).