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

C10H16N4O2 — CID 136976077

IUPAC5-amino-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESNc1c(NCC2(O)CCCC2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c11-7-8(13-6-14-9(7)15)12-5-10(16)3-1-2-4-10/h6,16H,1-5,11H2,(H2,12,13,14,15)
InChIKeyJMGMCZLREVKFRU-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.07
Rot. Bonds3

About 5-amino-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one

5-amino-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136976077) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-amino-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136976077
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-amino-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
SMILESNc1c(NCC2(O)CCCC2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c11-7-8(13-6-14-9(7)15)12-5-10(16)3-1-2-4-10/h6,16H,1-5,11H2,(H2,12,13,14,15)
InChIKeyJMGMCZLREVKFRU-UHFFFAOYSA-N
XLogP0.07
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one (CID 136976077) is 5-amino-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one is Nc1c(NCC2(O)CCCC2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is JMGMCZLREVKFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c11-7-8(13-6-14-9(7)15)12-5-10(16)3-1-2-4-10/h6,16H,1-5,11H2,(H2,12,13,14,15).
What are the key properties of 5-amino-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of 0.07, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).