5,6-diamino-3-propylpyrimidin-4-one

C7H12N4O — CID 67076582

IUPAC5,6-diamino-3-propylpyrimidin-4-one
SMILESCCCn1cnc(N)c(N)c1=O
InChIInChI=1S/C7H12N4O/c1-2-3-11-4-10-6(9)5(8)7(11)12/h4H,2-3,8-9H2,1H3
InChIKeyFWOADZHFEHHNEL-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.18
Rot. Bonds2

About 5,6-diamino-3-propylpyrimidin-4-one

5,6-diamino-3-propylpyrimidin-4-one (PubChem CID 67076582) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 5,6-diamino-3-propylpyrimidin-4-one.

Molecular Properties

Compound Name5,6-diamino-3-propylpyrimidin-4-one
PubChem CID67076582
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name5,6-diamino-3-propylpyrimidin-4-one
SMILESCCCn1cnc(N)c(N)c1=O
InChIInChI=1S/C7H12N4O/c1-2-3-11-4-10-6(9)5(8)7(11)12/h4H,2-3,8-9H2,1H3
InChIKeyFWOADZHFEHHNEL-UHFFFAOYSA-N
XLogP-0.18
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-3-propylpyrimidin-4-one?
The IUPAC name of 5,6-diamino-3-propylpyrimidin-4-one (CID 67076582) is 5,6-diamino-3-propylpyrimidin-4-one.
What is the SMILES notation for 5,6-diamino-3-propylpyrimidin-4-one?
The canonical SMILES for 5,6-diamino-3-propylpyrimidin-4-one is CCCn1cnc(N)c(N)c1=O.
What is the InChIKey of 5,6-diamino-3-propylpyrimidin-4-one?
The InChIKey is FWOADZHFEHHNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-2-3-11-4-10-6(9)5(8)7(11)12/h4H,2-3,8-9H2,1H3.
What are the key properties of 5,6-diamino-3-propylpyrimidin-4-one?
5,6-diamino-3-propylpyrimidin-4-one has a molecular weight of 168.20 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-3-propylpyrimidin-4-one is sourced from PubChem (CID 67076582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).