1-(2-chloropyrimidin-4-yl)-4-ethylpyrrolidin-3-ol

C10H14ClN3O — CID 131003157

IUPAC1-(2-chloropyrimidin-4-yl)-4-ethylpyrrolidin-3-ol
SMILESCCC1CN(c2ccnc(Cl)n2)CC1O
InChIInChI=1S/C10H14ClN3O/c1-2-7-5-14(6-8(7)15)9-3-4-12-10(11)13-9/h3-4,7-8,15H,2,5-6H2,1H3
InChIKeyASLATGNPMHFGTQ-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.34
Rot. Bonds2

About 1-(2-chloropyrimidin-4-yl)-4-ethylpyrrolidin-3-ol

1-(2-chloropyrimidin-4-yl)-4-ethylpyrrolidin-3-ol (PubChem CID 131003157) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 1-(2-chloropyrimidin-4-yl)-4-ethylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-chloropyrimidin-4-yl)-4-ethylpyrrolidin-3-ol
PubChem CID131003157
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name1-(2-chloropyrimidin-4-yl)-4-ethylpyrrolidin-3-ol
SMILESCCC1CN(c2ccnc(Cl)n2)CC1O
InChIInChI=1S/C10H14ClN3O/c1-2-7-5-14(6-8(7)15)9-3-4-12-10(11)13-9/h3-4,7-8,15H,2,5-6H2,1H3
InChIKeyASLATGNPMHFGTQ-UHFFFAOYSA-N
XLogP1.34
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-4-pyridinyl)-4-ethylpyrrolidin-3-ol
CID 130874690
(3S,5R)-1-(2-chloropyrimidin-4-yl)-5-methylpiperidin-3-ol
CID 131002548
[1-(2-chloropyrimidin-4-yl)azetidin-3-yl]carbamic acid
CID 151158754
ethyl (3S)-1-(2-chloropyrimidin-4-yl)pyrrolidine-3-carboxylate
CID 129499368
4-ethyl-1-(2-fluoro-4-pyridinyl)pyrrolidin-3-ol
CID 130943521
2-chloro-4-(4,4-diethylpiperidin-1-yl)pyrimidine
CID 63161724
2-chloro-4-(4-chloropiperidin-1-yl)pyrimidine
CID 142745770
(3S)-1-(2-chloropyrimidin-4-yl)pyrrolidin-3-amine
CID 71643947
2-[1-(2-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
CID 103761496
1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674543
1-[1-(2-chloropyrimidin-4-yl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 62344447
4-(2-chloropyrimidin-4-yl)morpholine;ethane;tungsten
CID 161195387

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloropyrimidin-4-yl)-4-ethylpyrrolidin-3-ol?
The IUPAC name of 1-(2-chloropyrimidin-4-yl)-4-ethylpyrrolidin-3-ol (CID 131003157) is 1-(2-chloropyrimidin-4-yl)-4-ethylpyrrolidin-3-ol.
What is the SMILES notation for 1-(2-chloropyrimidin-4-yl)-4-ethylpyrrolidin-3-ol?
The canonical SMILES for 1-(2-chloropyrimidin-4-yl)-4-ethylpyrrolidin-3-ol is CCC1CN(c2ccnc(Cl)n2)CC1O.
What is the InChIKey of 1-(2-chloropyrimidin-4-yl)-4-ethylpyrrolidin-3-ol?
The InChIKey is ASLATGNPMHFGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-2-7-5-14(6-8(7)15)9-3-4-12-10(11)13-9/h3-4,7-8,15H,2,5-6H2,1H3.
What are the key properties of 1-(2-chloropyrimidin-4-yl)-4-ethylpyrrolidin-3-ol?
1-(2-chloropyrimidin-4-yl)-4-ethylpyrrolidin-3-ol has a molecular weight of 227.69 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloropyrimidin-4-yl)-4-ethylpyrrolidin-3-ol is sourced from PubChem (CID 131003157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).