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

C11H17N3O2 — CID 136859482

IUPAC4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one
SMILESCN(c1cc(=O)[nH]cn1)C1CCCCC1O
InChIInChI=1S/C11H17N3O2/c1-14(8-4-2-3-5-9(8)15)10-6-11(16)13-7-12-10/h6-9,15H,2-5H2,1H3,(H,12,13,16)
InChIKeyNFZXHOCFHBXPLF-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.51
Rot. Bonds2

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

4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one (PubChem CID 136859482) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one
PubChem CID136859482
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one
SMILESCN(c1cc(=O)[nH]cn1)C1CCCCC1O
InChIInChI=1S/C11H17N3O2/c1-14(8-4-2-3-5-9(8)15)10-6-11(16)13-7-12-10/h6-9,15H,2-5H2,1H3,(H,12,13,16)
InChIKeyNFZXHOCFHBXPLF-UHFFFAOYSA-N
XLogP0.51
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one (CID 136859482) is 4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one is CN(c1cc(=O)[nH]cn1)C1CCCCC1O.
What is the InChIKey of 4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one?
The InChIKey is NFZXHOCFHBXPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-14(8-4-2-3-5-9(8)15)10-6-11(16)13-7-12-10/h6-9,15H,2-5H2,1H3,(H,12,13,16).
What are the key properties of 4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one?
4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxycyclohexyl)-methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136859482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).