5-amino-4-(2-bicyclo[2.2.1]heptanylmethylamino)-1H-pyrimidin-6-one

C12H18N4O — CID 136975713

IUPAC5-amino-4-(2-bicyclo[2.2.1]heptanylmethylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCC2CC3CCC2C3)nc[nH]c1=O
InChIInChI=1S/C12H18N4O/c13-10-11(15-6-16-12(10)17)14-5-9-4-7-1-2-8(9)3-7/h6-9H,1-5,13H2,(H2,14,15,16,17)
InChIKeyPEHYBHUVSBZUIO-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.20
Rot. Bonds3

About 5-amino-4-(2-bicyclo[2.2.1]heptanylmethylamino)-1H-pyrimidin-6-one

5-amino-4-(2-bicyclo[2.2.1]heptanylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136975713) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-amino-4-(2-bicyclo[2.2.1]heptanylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2-bicyclo[2.2.1]heptanylmethylamino)-1H-pyrimidin-6-one
PubChem CID136975713
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name5-amino-4-(2-bicyclo[2.2.1]heptanylmethylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCC2CC3CCC2C3)nc[nH]c1=O
InChIInChI=1S/C12H18N4O/c13-10-11(15-6-16-12(10)17)14-5-9-4-7-1-2-8(9)3-7/h6-9H,1-5,13H2,(H2,14,15,16,17)
InChIKeyPEHYBHUVSBZUIO-UHFFFAOYSA-N
XLogP1.20
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-amino-4-(2-bicyclo[2.2.1]heptanylmethylamino)-1H-pyrimidin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

5-Amino-3-(2-bicyclo[2.2.1]heptanylmethyl)-6-chloropyrimidin-4-one
CID 114582770
5-amino-4-[(3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136786653
5-amino-4-[(2-methylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136867426
5-amino-4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one
CID 136870679
5-amino-4-(3-cyclopentylpropylamino)-1H-pyrimidin-6-one
CID 136883400
4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-5-iodo-1H-pyrimidin-6-one
CID 136955973
4-(2-bicyclo[2.2.1]heptanylmethylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956645
4-(2-bicyclo[2.2.1]heptanylmethylamino)-1H-pyrimidin-6-one
CID 136956647
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1H-pyrimidin-6-one
CID 136957866
5-amino-4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-1H-pyrimidin-6-one
CID 136973685
4-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-5-chloro-1H-pyrimidin-6-one
CID 136973687
5-amino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one
CID 136973919

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-bicyclo[2.2.1]heptanylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2-bicyclo[2.2.1]heptanylmethylamino)-1H-pyrimidin-6-one (CID 136975713) is 5-amino-4-(2-bicyclo[2.2.1]heptanylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2-bicyclo[2.2.1]heptanylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2-bicyclo[2.2.1]heptanylmethylamino)-1H-pyrimidin-6-one is Nc1c(NCC2CC3CCC2C3)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(2-bicyclo[2.2.1]heptanylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is PEHYBHUVSBZUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-10-11(15-6-16-12(10)17)14-5-9-4-7-1-2-8(9)3-7/h6-9H,1-5,13H2,(H2,14,15,16,17).
What are the key properties of 5-amino-4-(2-bicyclo[2.2.1]heptanylmethylamino)-1H-pyrimidin-6-one?
5-amino-4-(2-bicyclo[2.2.1]heptanylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 234.30 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-bicyclo[2.2.1]heptanylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136975713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).