2-(3-methylbutylamino)-N,N-dipropylpyrimidine-4-carboxamide

C16H28N4O — CID 109311740

IUPAC2-(3-methylbutylamino)-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(NCCC(C)C)n1
InChIInChI=1S/C16H28N4O/c1-5-11-20(12-6-2)15(21)14-8-10-18-16(19-14)17-9-7-13(3)4/h8,10,13H,5-7,9,11-12H2,1-4H3,(H,17,18,19)
InChIKeyZURFLGUZJIQRLZ-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.20
Rot. Bonds9

About 2-(3-methylbutylamino)-N,N-dipropylpyrimidine-4-carboxamide

2-(3-methylbutylamino)-N,N-dipropylpyrimidine-4-carboxamide (PubChem CID 109311740) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-(3-methylbutylamino)-N,N-dipropylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-methylbutylamino)-N,N-dipropylpyrimidine-4-carboxamide
PubChem CID109311740
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-(3-methylbutylamino)-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(NCCC(C)C)n1
InChIInChI=1S/C16H28N4O/c1-5-11-20(12-6-2)15(21)14-8-10-18-16(19-14)17-9-7-13(3)4/h8,10,13H,5-7,9,11-12H2,1-4H3,(H,17,18,19)
InChIKeyZURFLGUZJIQRLZ-UHFFFAOYSA-N
XLogP3.20
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109296575
[2-(3-methylbutylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109302252
2-(3-methylbutylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109307886
N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109313001
2-(2,6-difluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313081
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
2-(5-methylhexylamino)pyrimidine-4-carboxylic acid
CID 107554244
2-(2-fluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313006
N-(furan-2-ylmethyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109303470
2-(3-chloro-4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313014

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylamino)-N,N-dipropylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3-methylbutylamino)-N,N-dipropylpyrimidine-4-carboxamide (CID 109311740) is 2-(3-methylbutylamino)-N,N-dipropylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-methylbutylamino)-N,N-dipropylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-methylbutylamino)-N,N-dipropylpyrimidine-4-carboxamide is CCCN(CCC)C(=O)c1ccnc(NCCC(C)C)n1.
What is the InChIKey of 2-(3-methylbutylamino)-N,N-dipropylpyrimidine-4-carboxamide?
The InChIKey is ZURFLGUZJIQRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-5-11-20(12-6-2)15(21)14-8-10-18-16(19-14)17-9-7-13(3)4/h8,10,13H,5-7,9,11-12H2,1-4H3,(H,17,18,19).
What are the key properties of 2-(3-methylbutylamino)-N,N-dipropylpyrimidine-4-carboxamide?
2-(3-methylbutylamino)-N,N-dipropylpyrimidine-4-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 3.20, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylamino)-N,N-dipropylpyrimidine-4-carboxamide is sourced from PubChem (CID 109311740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).