5-chloro-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one

C10H14ClN3O2 — CID 136975417

IUPAC5-chloro-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2(CO)CCCC2)c1Cl
InChIInChI=1S/C10H14ClN3O2/c11-7-8(12-6-13-9(7)16)14-10(5-15)3-1-2-4-10/h6,15H,1-5H2,(H2,12,13,14,16)
InChIKeyJLZAVIOEPQQLFM-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.14
Rot. Bonds3

About 5-chloro-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one

5-chloro-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one (PubChem CID 136975417) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 5-chloro-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
PubChem CID136975417
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name5-chloro-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2(CO)CCCC2)c1Cl
InChIInChI=1S/C10H14ClN3O2/c11-7-8(12-6-13-9(7)16)14-10(5-15)3-1-2-4-10/h6,15H,1-5H2,(H2,12,13,14,16)
InChIKeyJLZAVIOEPQQLFM-UHFFFAOYSA-N
XLogP1.14
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746826
4-[[1-(hydroxymethyl)cyclopentyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136956565
5-bromo-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136956567
4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136956568
5-chloro-4-[(1-hydroxy-4-methylpentan-2-yl)amino]-1H-pyrimidin-6-one
CID 136974655
5-amino-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136975415
5-chloro-4-[3-(hydroxymethyl)pentan-3-ylamino]-1H-pyrimidin-6-one
CID 136975425
5-chloro-4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1H-pyrimidin-6-one
CID 136975444
5-chloro-4-[(1-hydroxy-2-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136975986
5-chloro-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136976079
5-chloro-4-[(2-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136976188
5-chloro-4-[[2-(hydroxymethyl)cyclopentyl]methylamino]-1H-pyrimidin-6-one
CID 136976193

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one (CID 136975417) is 5-chloro-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one is O=c1[nH]cnc(NC2(CO)CCCC2)c1Cl.
What is the InChIKey of 5-chloro-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one?
The InChIKey is JLZAVIOEPQQLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c11-7-8(12-6-13-9(7)16)14-10(5-15)3-1-2-4-10/h6,15H,1-5H2,(H2,12,13,14,16).
What are the key properties of 5-chloro-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one?
5-chloro-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one has a molecular weight of 243.69 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136975417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).