2-(tert-butylamino)-N-(3-methylbutyl)pyrimidine-5-carboxamide

C14H24N4O — CID 109262959

IUPAC2-(tert-butylamino)-N-(3-methylbutyl)pyrimidine-5-carboxamide
SMILESCC(C)CCNC(=O)c1cnc(NC(C)(C)C)nc1
InChIInChI=1S/C14H24N4O/c1-10(2)6-7-15-12(19)11-8-16-13(17-9-11)18-14(3,4)5/h8-10H,6-7H2,1-5H3,(H,15,19)(H,16,17,18)
InChIKeyXKAPDRDDWXFNIT-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.46
Rot. Bonds5

About 2-(tert-butylamino)-N-(3-methylbutyl)pyrimidine-5-carboxamide

2-(tert-butylamino)-N-(3-methylbutyl)pyrimidine-5-carboxamide (PubChem CID 109262959) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-(3-methylbutyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-(3-methylbutyl)pyrimidine-5-carboxamide
PubChem CID109262959
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-(tert-butylamino)-N-(3-methylbutyl)pyrimidine-5-carboxamide
SMILESCC(C)CCNC(=O)c1cnc(NC(C)(C)C)nc1
InChIInChI=1S/C14H24N4O/c1-10(2)6-7-15-12(19)11-8-16-13(17-9-11)18-14(3,4)5/h8-10H,6-7H2,1-5H3,(H,15,19)(H,16,17,18)
InChIKeyXKAPDRDDWXFNIT-UHFFFAOYSA-N
XLogP2.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

N-(3-methylbutyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259527
2-(tert-butylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109332607
2-(3-acetamidoanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide
CID 109263460
N-[(2-fluorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide
CID 109256911
2-(tert-butylamino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249591
2-(2-chloro-4,6-dimethylanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide
CID 109263439
N-[(4-chlorophenyl)methyl]-2-(3-methylbutylamino)pyrimidine-5-carboxamide
CID 109257600
N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253878
2-(3-methylbutylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256382
N-(3-methylbutyl)-2-(quinolin-8-ylamino)pyrimidine-5-carboxamide
CID 109263486
5-bromo-N-(3-methylbutyl)pyridine-3-carboxamide
CID 21352689
N-(3-methylbutyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109263399

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-(3-methylbutyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(tert-butylamino)-N-(3-methylbutyl)pyrimidine-5-carboxamide (CID 109262959) is 2-(tert-butylamino)-N-(3-methylbutyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(tert-butylamino)-N-(3-methylbutyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(tert-butylamino)-N-(3-methylbutyl)pyrimidine-5-carboxamide is CC(C)CCNC(=O)c1cnc(NC(C)(C)C)nc1.
What is the InChIKey of 2-(tert-butylamino)-N-(3-methylbutyl)pyrimidine-5-carboxamide?
The InChIKey is XKAPDRDDWXFNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)6-7-15-12(19)11-8-16-13(17-9-11)18-14(3,4)5/h8-10H,6-7H2,1-5H3,(H,15,19)(H,16,17,18).
What are the key properties of 2-(tert-butylamino)-N-(3-methylbutyl)pyrimidine-5-carboxamide?
2-(tert-butylamino)-N-(3-methylbutyl)pyrimidine-5-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-(3-methylbutyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109262959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).