4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one

C10H15N3O2 — CID 136902406

IUPAC4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2CCC(O)C2)nc[nH]1
InChIInChI=1S/C10H15N3O2/c14-8-2-1-7(3-8)5-11-9-4-10(15)13-6-12-9/h4,6-8,14H,1-3,5H2,(H2,11,12,13,15)
InChIKeyRRXCWNGFTLJBIL-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.34
Rot. Bonds3

About 4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one

4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136902406) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136902406
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2CCC(O)C2)nc[nH]1
InChIInChI=1S/C10H15N3O2/c14-8-2-1-7(3-8)5-11-9-4-10(15)13-6-12-9/h4,6-8,14H,1-3,5H2,(H2,11,12,13,15)
InChIKeyRRXCWNGFTLJBIL-UHFFFAOYSA-N
XLogP0.34
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one (CID 136902406) is 4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one is O=c1cc(NCC2CCC(O)C2)nc[nH]1.
What is the InChIKey of 4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is RRXCWNGFTLJBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c14-8-2-1-7(3-8)5-11-9-4-10(15)13-6-12-9/h4,6-8,14H,1-3,5H2,(H2,11,12,13,15).
What are the key properties of 4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one?
4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 209.25 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136902406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).