5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide

C15H23N5O — CID 62160184

IUPAC5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)CN(CCC#N)C(=O)c1nc(C(C)C)ncc1N
InChIInChI=1S/C15H23N5O/c1-10(2)9-20(7-5-6-16)15(21)13-12(17)8-18-14(19-13)11(3)4/h8,10-11H,5,7,9,17H2,1-4H3
InChIKeyBHXANBLXKJLTRB-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.19
Rot. Bonds6

About 5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide

5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62160184) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62160184
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)CN(CCC#N)C(=O)c1nc(C(C)C)ncc1N
InChIInChI=1S/C15H23N5O/c1-10(2)9-20(7-5-6-16)15(21)13-12(17)8-18-14(19-13)11(3)4/h8,10-11H,5,7,9,17H2,1-4H3
InChIKeyBHXANBLXKJLTRB-UHFFFAOYSA-N
XLogP2.19
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 107486025
5-[2-cyanoethyl(2-methylpropyl)amino]-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 62088482
5-chloro-N,N-bis(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62015370
5-amino-N-ethyl-N-methyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62155107
5-amino-N-(2-cyanoethyl)-2-methyl-N-(2-methylpropyl)pyridine-3-carboxamide
CID 61114721
3-[(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 119190217
N-(2-cyanoethyl)-5-hydrazinyl-N,2-di(propan-2-yl)pyrimidine-4-carboxamide
CID 62241285
6-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 62160013
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
2-amino-6-chloro-N-(2-cyanoethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 62162054
ethyl 4-[2-cyanoethyl(2-methylpropyl)carbamoyl]-1,3-thiazole-2-carboxylate
CID 116697911

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 62160184) is 5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)CN(CCC#N)C(=O)c1nc(C(C)C)ncc1N.
What is the InChIKey of 5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is BHXANBLXKJLTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-10(2)9-20(7-5-6-16)15(21)13-12(17)8-18-14(19-13)11(3)4/h8,10-11H,5,7,9,17H2,1-4H3.
What are the key properties of 5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-cyanoethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62160184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).