5-amino-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one

C12H20N4O2 — CID 136976097

IUPAC5-amino-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1CCCC(O)(CNc2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C12H20N4O2/c1-8-3-2-4-12(18,5-8)6-14-10-9(13)11(17)16-7-15-10/h7-8,18H,2-6,13H2,1H3,(H2,14,15,16,17)
InChIKeyVLSOSLHBBRJIMN-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.71
Rot. Bonds3

About 5-amino-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one

5-amino-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136976097) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5-amino-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136976097
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name5-amino-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1CCCC(O)(CNc2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C12H20N4O2/c1-8-3-2-4-12(18,5-8)6-14-10-9(13)11(17)16-7-15-10/h7-8,18H,2-6,13H2,1H3,(H2,14,15,16,17)
InChIKeyVLSOSLHBBRJIMN-UHFFFAOYSA-N
XLogP0.71
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819388
5-amino-4-[(3-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136823126
5-bromo-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136956813
4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136956814
5-amino-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136976077
5-amino-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976086
5-amino-4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976091
5-chloro-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976099
4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136976101
5-amino-4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976103
5-amino-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one
CID 136976109
5-amino-4-[(2-hydroxy-2,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136976235

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one (CID 136976097) is 5-amino-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one is CC1CCCC(O)(CNc2nc[nH]c(=O)c2N)C1.
What is the InChIKey of 5-amino-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is VLSOSLHBBRJIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-3-2-4-12(18,5-8)6-14-10-9(13)11(17)16-7-15-10/h7-8,18H,2-6,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-amino-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 252.32 g/mol, XLogP of 0.71, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).