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

C12H19N3O2 — CID 136956760

IUPAC4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2(O)CCCCCC2)nc[nH]1
InChIInChI=1S/C12H19N3O2/c16-11-7-10(14-9-15-11)13-8-12(17)5-3-1-2-4-6-12/h7,9,17H,1-6,8H2,(H2,13,14,15,16)
InChIKeyIZTNDAXPSYJOGL-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.27
Rot. Bonds3

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

4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136956760) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136956760
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2(O)CCCCCC2)nc[nH]1
InChIInChI=1S/C12H19N3O2/c16-11-7-10(14-9-15-11)13-8-12(17)5-3-1-2-4-6-12/h7,9,17H,1-6,8H2,(H2,13,14,15,16)
InChIKeyIZTNDAXPSYJOGL-UHFFFAOYSA-N
XLogP1.27
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-hydroxy-2-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136819391
4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136956757
4-[(1-hydroxycycloheptyl)methylamino]-5-iodo-1H-pyrimidin-6-one
CID 136956758
4-[(1-hydroxycycloheptyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136956759
4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136956775
4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136956785
4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136956798
4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136956814
2-ethyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one
CID 136976108
5-amino-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one
CID 136976109
2-cyclopropyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one
CID 136976110
5-chloro-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one
CID 136976111

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one (CID 136956760) is 4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one is O=c1cc(NCC2(O)CCCCCC2)nc[nH]1.
What is the InChIKey of 4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is IZTNDAXPSYJOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c16-11-7-10(14-9-15-11)13-8-12(17)5-3-1-2-4-6-12/h7,9,17H,1-6,8H2,(H2,13,14,15,16).
What are the key properties of 4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one?
4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 1.27, 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]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).