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

C11H17N3O2 — CID 136956785

IUPAC4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2(O)CCCCC2)nc[nH]1
InChIInChI=1S/C11H17N3O2/c15-10-6-9(13-8-14-10)12-7-11(16)4-2-1-3-5-11/h6,8,16H,1-5,7H2,(H2,12,13,14,15)
InChIKeyWHZLMQGKNGVERS-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.88
Rot. Bonds3

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

4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136956785) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136956785
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2(O)CCCCC2)nc[nH]1
InChIInChI=1S/C11H17N3O2/c15-10-6-9(13-8-14-10)12-7-11(16)4-2-1-3-5-11/h6,8,16H,1-5,7H2,(H2,12,13,14,15)
InChIKeyWHZLMQGKNGVERS-UHFFFAOYSA-N
XLogP0.88
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one (CID 136956785) is 4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one is O=c1cc(NCC2(O)CCCCC2)nc[nH]1.
What is the InChIKey of 4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is WHZLMQGKNGVERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-10-6-9(13-8-14-10)12-7-11(16)4-2-1-3-5-11/h6,8,16H,1-5,7H2,(H2,12,13,14,15).
What are the key properties of 4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one?
4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).