5-amino-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one

C11H18N4O — CID 136825673

IUPAC5-amino-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCC1CCC(Nc2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C11H18N4O/c1-7-2-4-8(5-3-7)15-10-9(12)11(16)14-6-13-10/h6-8H,2-5,12H2,1H3,(H2,13,14,15,16)
InChIKeyUCBYWVYOXGBOET-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.34
Rot. Bonds2

About 5-amino-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one

5-amino-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one (PubChem CID 136825673) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-amino-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one
PubChem CID136825673
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-amino-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one
SMILESCC1CCC(Nc2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C11H18N4O/c1-7-2-4-8(5-3-7)15-10-9(12)11(16)14-6-13-10/h6-8H,2-5,12H2,1H3,(H2,13,14,15,16)
InChIKeyUCBYWVYOXGBOET-UHFFFAOYSA-N
XLogP1.34
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-2-(cyclohexylmethylamino)-1H-pyrimidin-6-one
CID 20276614
5-amino-2-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 20276731
4-[2-bicyclo[2.2.1]heptanyl(methyl)amino]-5-(methylideneamino)-1H-pyrimidin-6-one
CID 136633492
2-amino-6-butan-2-yl-5,6,7,8-tetrahydro-3H-pteridin-4-one
CID 137148918
2,5-diamino-4-(cyclohexylmethylamino)-1H-pyrimidin-6-one
CID 135412685
2-amino-4-(cyclohexylmethylamino)-5-nitroso-1H-pyrimidin-6-one
CID 135474227
5-amino-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568286
5-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568288
5-amino-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 135568323
5-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 135575706
5-Amino-6-(cyclohexylamino)pyrimidin-4(3H)-one
CID 135741811
N-[(1S)-1-cyclohexylethyl]-N'-[(6-oxo-1,6-dihydropyrimidin-4-yl)methyl]urea
CID 135859809

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one (CID 136825673) is 5-amino-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one is CC1CCC(Nc2nc[nH]c(=O)c2N)CC1.
What is the InChIKey of 5-amino-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one?
The InChIKey is UCBYWVYOXGBOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-7-2-4-8(5-3-7)15-10-9(12)11(16)14-6-13-10/h6-8H,2-5,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-amino-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 1.34, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(4-methylcyclohexyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136825673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).