4-[(1-hydroxycycloheptyl)methylamino]-2-methyl-1H-pyrimidin-6-one

C13H21N3O2 — CID 136956759

IUPAC4-[(1-hydroxycycloheptyl)methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCC2(O)CCCCCC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-10-15-11(8-12(17)16-10)14-9-13(18)6-4-2-3-5-7-13/h8,18H,2-7,9H2,1H3,(H2,14,15,16,17)
InChIKeyLKRZTHDRWGTKBV-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.58
Rot. Bonds3

About 4-[(1-hydroxycycloheptyl)methylamino]-2-methyl-1H-pyrimidin-6-one

4-[(1-hydroxycycloheptyl)methylamino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136956759) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-[(1-hydroxycycloheptyl)methylamino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-hydroxycycloheptyl)methylamino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136956759
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-[(1-hydroxycycloheptyl)methylamino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NCC2(O)CCCCCC2)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-10-15-11(8-12(17)16-10)14-9-13(18)6-4-2-3-5-7-13/h8,18H,2-7,9H2,1H3,(H2,14,15,16,17)
InChIKeyLKRZTHDRWGTKBV-UHFFFAOYSA-N
XLogP1.58
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-hydroxy-2-methylpentyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136819385
4-[(2-hydroxy-2-methylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136819389
4-[(2-ethyl-2-hydroxybutyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136956752
4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136956755
4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one
CID 136956760
4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136956774
4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136956787
4-[(1-hydroxycyclopentyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136956796
4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136956812
4-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136956905
2-ethyl-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136976076
2-ethyl-4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976081

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxycycloheptyl)methylamino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-hydroxycycloheptyl)methylamino]-2-methyl-1H-pyrimidin-6-one (CID 136956759) is 4-[(1-hydroxycycloheptyl)methylamino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-hydroxycycloheptyl)methylamino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-hydroxycycloheptyl)methylamino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NCC2(O)CCCCCC2)cc(=O)[nH]1.
What is the InChIKey of 4-[(1-hydroxycycloheptyl)methylamino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is LKRZTHDRWGTKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-10-15-11(8-12(17)16-10)14-9-13(18)6-4-2-3-5-7-13/h8,18H,2-7,9H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-[(1-hydroxycycloheptyl)methylamino]-2-methyl-1H-pyrimidin-6-one?
4-[(1-hydroxycycloheptyl)methylamino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxycycloheptyl)methylamino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136956759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).