5-amino-N-(2,2-dimethylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide

C13H22N4O — CID 62161344

IUPAC5-amino-N-(2,2-dimethylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)NCC(C)(C)C)n1
InChIInChI=1S/C13H22N4O/c1-8(2)11-15-6-9(14)10(17-11)12(18)16-7-13(3,4)5/h6,8H,7,14H2,1-5H3,(H,16,18)
InChIKeyYEIVZFQYOUKHOK-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.96
Rot. Bonds3

About 5-amino-N-(2,2-dimethylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide

5-amino-N-(2,2-dimethylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62161344) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-amino-N-(2,2-dimethylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,2-dimethylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62161344
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-amino-N-(2,2-dimethylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)NCC(C)(C)C)n1
InChIInChI=1S/C13H22N4O/c1-8(2)11-15-6-9(14)10(17-11)12(18)16-7-13(3,4)5/h6,8H,7,14H2,1-5H3,(H,16,18)
InChIKeyYEIVZFQYOUKHOK-UHFFFAOYSA-N
XLogP1.96
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2-dimethylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-amino-N-(2,2-dimethylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 62161344) is 5-amino-N-(2,2-dimethylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2,2-dimethylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-N-(2,2-dimethylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1ncc(N)c(C(=O)NCC(C)(C)C)n1.
What is the InChIKey of 5-amino-N-(2,2-dimethylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is YEIVZFQYOUKHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-8(2)11-15-6-9(14)10(17-11)12(18)16-7-13(3,4)5/h6,8H,7,14H2,1-5H3,(H,16,18).
What are the key properties of 5-amino-N-(2,2-dimethylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-amino-N-(2,2-dimethylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2-dimethylpropyl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62161344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).