5-amino-N-butan-2-yl-N-butyl-2-propan-2-ylpyrimidine-4-carboxamide

C16H28N4O — CID 62186030

IUPAC5-amino-N-butan-2-yl-N-butyl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCCCN(C(=O)c1nc(C(C)C)ncc1N)C(C)CC
InChIInChI=1S/C16H28N4O/c1-6-8-9-20(12(5)7-2)16(21)14-13(17)10-18-15(19-14)11(3)4/h10-12H,6-9,17H2,1-5H3
InChIKeyHCFIGONSLZXAIQ-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.22
Rot. Bonds7

About 5-amino-N-butan-2-yl-N-butyl-2-propan-2-ylpyrimidine-4-carboxamide

5-amino-N-butan-2-yl-N-butyl-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62186030) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 5-amino-N-butan-2-yl-N-butyl-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-butan-2-yl-N-butyl-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62186030
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name5-amino-N-butan-2-yl-N-butyl-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCCCN(C(=O)c1nc(C(C)C)ncc1N)C(C)CC
InChIInChI=1S/C16H28N4O/c1-6-8-9-20(12(5)7-2)16(21)14-13(17)10-18-15(19-14)11(3)4/h10-12H,6-9,17H2,1-5H3
InChIKeyHCFIGONSLZXAIQ-UHFFFAOYSA-N
XLogP3.22
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-ethyl-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62155107
3-amino-N-butan-2-yl-N-butylpyridine-2-carboxamide
CID 113447633
5-amino-N-(2-ethoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 81074196
5-amino-N-methyl-N-(2-methylsulfonylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 79864352
5-amino-N-(2-methoxyethyl)-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 55041532
5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 107486025
5-amino-N-hexan-3-yl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62161489
5-amino-2-propan-2-yl-N-(3-propoxypropyl)pyrimidine-4-carboxamide
CID 82947676
5-amino-N-(2,2-dimethylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62161344
N-butan-2-yl-N-butyl-2H-triazole-4-carboxamide
CID 78954217
6-bromo-N-butan-2-yl-N-butylpyridine-3-carboxamide
CID 66462341
5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62160184

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butan-2-yl-N-butyl-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-amino-N-butan-2-yl-N-butyl-2-propan-2-ylpyrimidine-4-carboxamide (CID 62186030) is 5-amino-N-butan-2-yl-N-butyl-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-N-butan-2-yl-N-butyl-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-N-butan-2-yl-N-butyl-2-propan-2-ylpyrimidine-4-carboxamide is CCCCN(C(=O)c1nc(C(C)C)ncc1N)C(C)CC.
What is the InChIKey of 5-amino-N-butan-2-yl-N-butyl-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is HCFIGONSLZXAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-6-8-9-20(12(5)7-2)16(21)14-13(17)10-18-15(19-14)11(3)4/h10-12H,6-9,17H2,1-5H3.
What are the key properties of 5-amino-N-butan-2-yl-N-butyl-2-propan-2-ylpyrimidine-4-carboxamide?
5-amino-N-butan-2-yl-N-butyl-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butan-2-yl-N-butyl-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62186030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).