5-amino-4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-1H-pyrimidin-6-one

C13H22N4O2 — CID 136976091

IUPAC5-amino-4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(C)CCC(O)(CNc2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C13H22N4O2/c1-12(2)3-5-13(19,6-4-12)7-15-10-9(14)11(18)17-8-16-10/h8,19H,3-7,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyVWFBGLVDJYDSGZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.10
Rot. Bonds3

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

5-amino-4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136976091) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-amino-4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136976091
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name5-amino-4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESCC1(C)CCC(O)(CNc2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C13H22N4O2/c1-12(2)3-5-13(19,6-4-12)7-15-10-9(14)11(18)17-8-16-10/h8,19H,3-7,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyVWFBGLVDJYDSGZ-UHFFFAOYSA-N
XLogP1.10
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-1H-pyrimidin-6-one (CID 136976091) is 5-amino-4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-1H-pyrimidin-6-one is CC1(C)CCC(O)(CNc2nc[nH]c(=O)c2N)CC1.
What is the InChIKey of 5-amino-4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is VWFBGLVDJYDSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-12(2)3-5-13(19,6-4-12)7-15-10-9(14)11(18)17-8-16-10/h8,19H,3-7,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 5-amino-4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 1.10, 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-4,4-dimethylcyclohexyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).