4-amino-N-butan-2-ylpyrimidine-2-carboxamide

C9H14N4O — CID 130701737

IUPAC4-amino-N-butan-2-ylpyrimidine-2-carboxamide
SMILESCCC(C)NC(=O)c1nccc(N)n1
InChIInChI=1S/C9H14N4O/c1-3-6(2)12-9(14)8-11-5-4-7(10)13-8/h4-6H,3H2,1-2H3,(H,12,14)(H2,10,11,13)
InChIKeyFEMIERRYPDNSAX-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.59
Rot. Bonds3

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

4-amino-N-butan-2-ylpyrimidine-2-carboxamide (PubChem CID 130701737) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-amino-N-butan-2-ylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-butan-2-ylpyrimidine-2-carboxamide
PubChem CID130701737
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-amino-N-butan-2-ylpyrimidine-2-carboxamide
SMILESCCC(C)NC(=O)c1nccc(N)n1
InChIInChI=1S/C9H14N4O/c1-3-6(2)12-9(14)8-11-5-4-7(10)13-8/h4-6H,3H2,1-2H3,(H,12,14)(H2,10,11,13)
InChIKeyFEMIERRYPDNSAX-UHFFFAOYSA-N
XLogP0.59
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butan-2-ylpyrimidine-2-carboxamide?
The IUPAC name of 4-amino-N-butan-2-ylpyrimidine-2-carboxamide (CID 130701737) is 4-amino-N-butan-2-ylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-amino-N-butan-2-ylpyrimidine-2-carboxamide?
The canonical SMILES for 4-amino-N-butan-2-ylpyrimidine-2-carboxamide is CCC(C)NC(=O)c1nccc(N)n1.
What is the InChIKey of 4-amino-N-butan-2-ylpyrimidine-2-carboxamide?
The InChIKey is FEMIERRYPDNSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-3-6(2)12-9(14)8-11-5-4-7(10)13-8/h4-6H,3H2,1-2H3,(H,12,14)(H2,10,11,13).
What are the key properties of 4-amino-N-butan-2-ylpyrimidine-2-carboxamide?
4-amino-N-butan-2-ylpyrimidine-2-carboxamide has a molecular weight of 194.24 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butan-2-ylpyrimidine-2-carboxamide is sourced from PubChem (CID 130701737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).