4-amino-1-(4-amino-7-hydroxyheptyl)pyrimidin-2-one

C11H20N4O2 — CID 75954123

IUPAC4-amino-1-(4-amino-7-hydroxyheptyl)pyrimidin-2-one
SMILESNc1ccn(CCCC(N)CCCO)c(=O)n1
InChIInChI=1S/C11H20N4O2/c12-9(4-2-8-16)3-1-6-15-7-5-10(13)14-11(15)17/h5,7,9,16H,1-4,6,8,12H2,(H2,13,14,17)
InChIKeyLCDIZPVPPCTYGB-UHFFFAOYSA-N
MW240.31 g/mol
LogP-0.29
Rot. Bonds7

About 4-amino-1-(4-amino-7-hydroxyheptyl)pyrimidin-2-one

4-amino-1-(4-amino-7-hydroxyheptyl)pyrimidin-2-one (PubChem CID 75954123) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-amino-1-(4-amino-7-hydroxyheptyl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(4-amino-7-hydroxyheptyl)pyrimidin-2-one
PubChem CID75954123
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name4-amino-1-(4-amino-7-hydroxyheptyl)pyrimidin-2-one
SMILESNc1ccn(CCCC(N)CCCO)c(=O)n1
InChIInChI=1S/C11H20N4O2/c12-9(4-2-8-16)3-1-6-15-7-5-10(13)14-11(15)17/h5,7,9,16H,1-4,6,8,12H2,(H2,13,14,17)
InChIKeyLCDIZPVPPCTYGB-UHFFFAOYSA-N
XLogP-0.29
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-amino-1-(4-amino-7-hydroxyheptyl)pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-amino-7-hydroxyheptyl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(4-amino-7-hydroxyheptyl)pyrimidin-2-one (CID 75954123) is 4-amino-1-(4-amino-7-hydroxyheptyl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(4-amino-7-hydroxyheptyl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(4-amino-7-hydroxyheptyl)pyrimidin-2-one is Nc1ccn(CCCC(N)CCCO)c(=O)n1.
What is the InChIKey of 4-amino-1-(4-amino-7-hydroxyheptyl)pyrimidin-2-one?
The InChIKey is LCDIZPVPPCTYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c12-9(4-2-8-16)3-1-6-15-7-5-10(13)14-11(15)17/h5,7,9,16H,1-4,6,8,12H2,(H2,13,14,17).
What are the key properties of 4-amino-1-(4-amino-7-hydroxyheptyl)pyrimidin-2-one?
4-amino-1-(4-amino-7-hydroxyheptyl)pyrimidin-2-one has a molecular weight of 240.31 g/mol, XLogP of -0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-amino-7-hydroxyheptyl)pyrimidin-2-one is sourced from PubChem (CID 75954123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).