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

C11H17N3O2 — CID 136957006

IUPAC4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2(CO)CCCC2)nc[nH]1
InChIInChI=1S/C11H17N3O2/c15-7-11(3-1-2-4-11)6-12-9-5-10(16)14-8-13-9/h5,8,15H,1-4,6-7H2,(H2,12,13,14,16)
InChIKeyMCHIZYXWGJQAML-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.73
Rot. Bonds4

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

4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one (PubChem CID 136957006) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one
PubChem CID136957006
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2(CO)CCCC2)nc[nH]1
InChIInChI=1S/C11H17N3O2/c15-7-11(3-1-2-4-11)6-12-9-5-10(16)14-8-13-9/h5,8,15H,1-4,6-7H2,(H2,12,13,14,16)
InChIKeyMCHIZYXWGJQAML-UHFFFAOYSA-N
XLogP0.73
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one (CID 136957006) is 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one is O=c1cc(NCC2(CO)CCCC2)nc[nH]1.
What is the InChIKey of 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one?
The InChIKey is MCHIZYXWGJQAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-7-11(3-1-2-4-11)6-12-9-5-10(16)14-8-13-9/h5,8,15H,1-4,6-7H2,(H2,12,13,14,16).
What are the key properties of 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one?
4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(hydroxymethyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136957006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).