4-amino-1-[3-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]phenyl]pyrimidin-2-one

C18H23N5O — CID 167383666

IUPAC4-amino-1-[3-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]phenyl]pyrimidin-2-one
SMILESNc1ccn(-c2cccc(CCN3CC4(CC(N)C4)C3)c2)c(=O)n1
InChIInChI=1S/C18H23N5O/c19-14-9-18(10-14)11-22(12-18)6-4-13-2-1-3-15(8-13)23-7-5-16(20)21-17(23)24/h1-3,5,7-8,14H,4,6,9-12,19H2,(H2,20,21,24)
InChIKeyCLRCEWOHLOCGNF-UHFFFAOYSA-N
MW325.42 g/mol
LogP0.78
Rot. Bonds4

About 4-amino-1-[3-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]phenyl]pyrimidin-2-one

4-amino-1-[3-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]phenyl]pyrimidin-2-one (PubChem CID 167383666) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-amino-1-[3-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]phenyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[3-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]phenyl]pyrimidin-2-one
PubChem CID167383666
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name4-amino-1-[3-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]phenyl]pyrimidin-2-one
SMILESNc1ccn(-c2cccc(CCN3CC4(CC(N)C4)C3)c2)c(=O)n1
InChIInChI=1S/C18H23N5O/c19-14-9-18(10-14)11-22(12-18)6-4-13-2-1-3-15(8-13)23-7-5-16(20)21-17(23)24/h1-3,5,7-8,14H,4,6,9-12,19H2,(H2,20,21,24)
InChIKeyCLRCEWOHLOCGNF-UHFFFAOYSA-N
XLogP0.78
TPSA90.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-1-[3-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]phenyl]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-[3-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]phenyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[3-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]phenyl]pyrimidin-2-one (CID 167383666) is 4-amino-1-[3-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]phenyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[3-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]phenyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[3-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]phenyl]pyrimidin-2-one is Nc1ccn(-c2cccc(CCN3CC4(CC(N)C4)C3)c2)c(=O)n1.
What is the InChIKey of 4-amino-1-[3-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]phenyl]pyrimidin-2-one?
The InChIKey is CLRCEWOHLOCGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c19-14-9-18(10-14)11-22(12-18)6-4-13-2-1-3-15(8-13)23-7-5-16(20)21-17(23)24/h1-3,5,7-8,14H,4,6,9-12,19H2,(H2,20,21,24).
What are the key properties of 4-amino-1-[3-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]phenyl]pyrimidin-2-one?
4-amino-1-[3-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]phenyl]pyrimidin-2-one has a molecular weight of 325.42 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[3-[2-(6-amino-2-azaspiro[3.3]heptan-2-yl)ethyl]phenyl]pyrimidin-2-one is sourced from PubChem (CID 167383666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).