4-amino-6-oxo-1-propylpyrimidine-2-carboxamide

C8H12N4O2 — CID 173128226

IUPAC4-amino-6-oxo-1-propylpyrimidine-2-carboxamide
SMILESCCCn1c(C(N)=O)nc(N)cc1=O
InChIInChI=1S/C8H12N4O2/c1-2-3-12-6(13)4-5(9)11-8(12)7(10)14/h4H,2-3,9H2,1H3,(H2,10,14)
InChIKeyYCXJUWDMQBYFCD-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.67
Rot. Bonds3

About 4-amino-6-oxo-1-propylpyrimidine-2-carboxamide

4-amino-6-oxo-1-propylpyrimidine-2-carboxamide (PubChem CID 173128226) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-amino-6-oxo-1-propylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-amino-6-oxo-1-propylpyrimidine-2-carboxamide
PubChem CID173128226
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name4-amino-6-oxo-1-propylpyrimidine-2-carboxamide
SMILESCCCn1c(C(N)=O)nc(N)cc1=O
InChIInChI=1S/C8H12N4O2/c1-2-3-12-6(13)4-5(9)11-8(12)7(10)14/h4H,2-3,9H2,1H3,(H2,10,14)
InChIKeyYCXJUWDMQBYFCD-UHFFFAOYSA-N
XLogP-0.67
TPSA104.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-oxo-1-propylpyrimidine-2-carboxamide?
The IUPAC name of 4-amino-6-oxo-1-propylpyrimidine-2-carboxamide (CID 173128226) is 4-amino-6-oxo-1-propylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-amino-6-oxo-1-propylpyrimidine-2-carboxamide?
The canonical SMILES for 4-amino-6-oxo-1-propylpyrimidine-2-carboxamide is CCCn1c(C(N)=O)nc(N)cc1=O.
What is the InChIKey of 4-amino-6-oxo-1-propylpyrimidine-2-carboxamide?
The InChIKey is YCXJUWDMQBYFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-2-3-12-6(13)4-5(9)11-8(12)7(10)14/h4H,2-3,9H2,1H3,(H2,10,14).
What are the key properties of 4-amino-6-oxo-1-propylpyrimidine-2-carboxamide?
4-amino-6-oxo-1-propylpyrimidine-2-carboxamide has a molecular weight of 196.21 g/mol, XLogP of -0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-oxo-1-propylpyrimidine-2-carboxamide is sourced from PubChem (CID 173128226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).