5-chloro-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one

C11H18ClN3O2 — CID 137000576

IUPAC5-chloro-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
SMILESCCCC(CCO)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H18ClN3O2/c1-2-3-8(4-5-16)6-13-10-9(12)11(17)15-7-14-10/h7-8,16H,2-6H2,1H3,(H2,13,14,15,17)
InChIKeyWSEYQXKMNHQCFE-UHFFFAOYSA-N
MW259.74 g/mol
LogP1.63
Rot. Bonds7

About 5-chloro-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one

5-chloro-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one (PubChem CID 137000576) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 5-chloro-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
PubChem CID137000576
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name5-chloro-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
SMILESCCCC(CCO)CNc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H18ClN3O2/c1-2-3-8(4-5-16)6-13-10-9(12)11(17)15-7-14-10/h7-8,16H,2-6H2,1H3,(H2,13,14,15,17)
InChIKeyWSEYQXKMNHQCFE-UHFFFAOYSA-N
XLogP1.63
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-1H-pyrimidin-6-one
CID 136703825
5-chloro-4-[(2-hydroxy-4-methylpentyl)amino]-1H-pyrimidin-6-one
CID 136703834
4-[2-(2-hydroxyethyl)pentylamino]-5-iodo-1H-pyrimidin-6-one
CID 136704099
4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704101
5-bromo-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704102
5-chloro-4-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrimidin-6-one
CID 136746826
5-chloro-4-[[2-(hydroxymethyl)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136746838
5-chloro-4-[(3-ethyl-2-hydroxypentyl)amino]-1H-pyrimidin-6-one
CID 136817760
5-chloro-4-[(3-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136823134
5-chloro-4-[(1-hydroxy-4-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847969
5-chloro-4-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136847979
5-chloro-4-[(1-hydroxy-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136849679

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one (CID 137000576) is 5-chloro-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one is CCCC(CCO)CNc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one?
The InChIKey is WSEYQXKMNHQCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c1-2-3-8(4-5-16)6-13-10-9(12)11(17)15-7-14-10/h7-8,16H,2-6H2,1H3,(H2,13,14,15,17).
What are the key properties of 5-chloro-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one?
5-chloro-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one has a molecular weight of 259.74 g/mol, XLogP of 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-(2-hydroxyethyl)pentylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137000576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).