5-chloro-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one

C10H14ClN3O2 — CID 136746826

IUPAC5-chloro-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCCC2CO)c1Cl
InChIInChI=1S/C10H14ClN3O2/c11-8-9(12-5-13-10(8)16)14-7-3-1-2-6(7)4-15/h5-7,15H,1-4H2,(H2,12,13,14,16)
InChIKeyWNQRZCRCSDKZJM-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.00
Rot. Bonds3

About 5-chloro-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one

5-chloro-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one (PubChem CID 136746826) has the molecular formula C10H14ClN3O2 and a molecular weight of 243.69 g/mol. Its IUPAC name is 5-chloro-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
PubChem CID136746826
Molecular FormulaC10H14ClN3O2
Molecular Weight243.69 g/mol
Exact Mass243.08
IUPAC Name5-chloro-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCCC2CO)c1Cl
InChIInChI=1S/C10H14ClN3O2/c11-8-9(12-5-13-10(8)16)14-7-3-1-2-6(7)4-15/h5-7,15H,1-4H2,(H2,12,13,14,16)
InChIKeyWNQRZCRCSDKZJM-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746821
4-[[2-(hydroxymethyl)cyclopentyl]amino]-5-iodo-1H-pyrimidin-6-one
CID 136746823
4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746827
5-bromo-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746828
5-chloro-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136746838
5-chloro-4-[(1-hydroxy-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847969
5-chloro-4-[(3-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136902409
5-chloro-4-[(1-hydroxy-4-methylpentan-2-yl)amino]-1H-pyrimidin-6-one
CID 136974655
5-chloro-4-[[1-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136975417
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
5-chloro-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 137000576

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one (CID 136746826) is 5-chloro-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one is O=c1[nH]cnc(NC2CCCC2CO)c1Cl.
What is the InChIKey of 5-chloro-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one?
The InChIKey is WNQRZCRCSDKZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O2/c11-8-9(12-5-13-10(8)16)14-7-3-1-2-6(7)4-15/h5-7,15H,1-4H2,(H2,12,13,14,16).
What are the key properties of 5-chloro-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one?
5-chloro-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one has a molecular weight of 243.69 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136746826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).