4-amino-N-propan-2-ylpyrimidine-2-carboxamide

C8H12N4O — CID 117213055

IUPAC4-amino-N-propan-2-ylpyrimidine-2-carboxamide
SMILESCC(C)NC(=O)c1nccc(N)n1
InChIInChI=1S/C8H12N4O/c1-5(2)11-8(13)7-10-4-3-6(9)12-7/h3-5H,1-2H3,(H,11,13)(H2,9,10,12)
InChIKeyXCQSSAUMSZOTJT-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.20
Rot. Bonds2

About 4-amino-N-propan-2-ylpyrimidine-2-carboxamide

4-amino-N-propan-2-ylpyrimidine-2-carboxamide (PubChem CID 117213055) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-amino-N-propan-2-ylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-propan-2-ylpyrimidine-2-carboxamide
PubChem CID117213055
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name4-amino-N-propan-2-ylpyrimidine-2-carboxamide
SMILESCC(C)NC(=O)c1nccc(N)n1
InChIInChI=1S/C8H12N4O/c1-5(2)11-8(13)7-10-4-3-6(9)12-7/h3-5H,1-2H3,(H,11,13)(H2,9,10,12)
InChIKeyXCQSSAUMSZOTJT-UHFFFAOYSA-N
XLogP0.20
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-propan-2-ylpyrimidine-2-carboxamide?
The IUPAC name of 4-amino-N-propan-2-ylpyrimidine-2-carboxamide (CID 117213055) is 4-amino-N-propan-2-ylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-amino-N-propan-2-ylpyrimidine-2-carboxamide?
The canonical SMILES for 4-amino-N-propan-2-ylpyrimidine-2-carboxamide is CC(C)NC(=O)c1nccc(N)n1.
What is the InChIKey of 4-amino-N-propan-2-ylpyrimidine-2-carboxamide?
The InChIKey is XCQSSAUMSZOTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-5(2)11-8(13)7-10-4-3-6(9)12-7/h3-5H,1-2H3,(H,11,13)(H2,9,10,12).
What are the key properties of 4-amino-N-propan-2-ylpyrimidine-2-carboxamide?
4-amino-N-propan-2-ylpyrimidine-2-carboxamide has a molecular weight of 180.21 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-propan-2-ylpyrimidine-2-carboxamide is sourced from PubChem (CID 117213055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).