5-amino-N-(2,3-dimethylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide

C14H24N4O — CID 64583560

IUPAC5-amino-N-(2,3-dimethylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)NCC(C)C(C)C)n1
InChIInChI=1S/C14H24N4O/c1-8(2)10(5)6-17-14(19)12-11(15)7-16-13(18-12)9(3)4/h7-10H,6,15H2,1-5H3,(H,17,19)
InChIKeyXWVGFCVAZWVEKR-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.20
Rot. Bonds5

About 5-amino-N-(2,3-dimethylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide

5-amino-N-(2,3-dimethylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 64583560) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-amino-N-(2,3-dimethylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2,3-dimethylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID64583560
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name5-amino-N-(2,3-dimethylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)NCC(C)C(C)C)n1
InChIInChI=1S/C14H24N4O/c1-8(2)10(5)6-17-14(19)12-11(15)7-16-13(18-12)9(3)4/h7-10H,6,15H2,1-5H3,(H,17,19)
InChIKeyXWVGFCVAZWVEKR-UHFFFAOYSA-N
XLogP2.20
TPSA80.90 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 ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,3-dimethylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 5-amino-N-(2,3-dimethylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide (CID 64583560) is 5-amino-N-(2,3-dimethylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2,3-dimethylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-N-(2,3-dimethylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1ncc(N)c(C(=O)NCC(C)C(C)C)n1.
What is the InChIKey of 5-amino-N-(2,3-dimethylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is XWVGFCVAZWVEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-8(2)10(5)6-17-14(19)12-11(15)7-16-13(18-12)9(3)4/h7-10H,6,15H2,1-5H3,(H,17,19).
What are the key properties of 5-amino-N-(2,3-dimethylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide?
5-amino-N-(2,3-dimethylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,3-dimethylbutyl)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 64583560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).