2-[1-(2-amino-5-chloropyrimidin-4-yl)pyrrolidin-3-yl]ethanol

C10H15ClN4O — CID 114802870

IUPAC2-[1-(2-amino-5-chloropyrimidin-4-yl)pyrrolidin-3-yl]ethanol
SMILESNc1ncc(Cl)c(N2CCC(CCO)C2)n1
InChIInChI=1S/C10H15ClN4O/c11-8-5-13-10(12)14-9(8)15-3-1-7(6-15)2-4-16/h5,7,16H,1-4,6H2,(H2,12,13,14)
InChIKeyWJKKCGGAAKFHPW-UHFFFAOYSA-N
MW242.71 g/mol
LogP0.92
Rot. Bonds3

About 2-[1-(2-amino-5-chloropyrimidin-4-yl)pyrrolidin-3-yl]ethanol

2-[1-(2-amino-5-chloropyrimidin-4-yl)pyrrolidin-3-yl]ethanol (PubChem CID 114802870) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-[1-(2-amino-5-chloropyrimidin-4-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-amino-5-chloropyrimidin-4-yl)pyrrolidin-3-yl]ethanol
PubChem CID114802870
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name2-[1-(2-amino-5-chloropyrimidin-4-yl)pyrrolidin-3-yl]ethanol
SMILESNc1ncc(Cl)c(N2CCC(CCO)C2)n1
InChIInChI=1S/C10H15ClN4O/c11-8-5-13-10(12)14-9(8)15-3-1-7(6-15)2-4-16/h5,7,16H,1-4,6H2,(H2,12,13,14)
InChIKeyWJKKCGGAAKFHPW-UHFFFAOYSA-N
XLogP0.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 22380438
2-[1-(2-amino-5-chloropyrimidin-4-yl)piperidin-4-yl]oxyethanol
CID 82693070
5-chloro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80828314
2-[1-(5-chloropyrimidin-4-yl)piperidin-3-yl]ethanol
CID 105370226
2-[1-(5-chloropyrazin-2-yl)pyrrolidin-3-yl]ethanol
CID 130986944
4-(4-tert-butylpiperidin-1-yl)-5-chloropyrimidin-2-amine
CID 80817865
2-[1-[3,5-dichloro-6-(propylamino)-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 102760175
2-[1-(3,5-difluoro-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 114799515
[1-(2-amino-5-bromopyrimidin-4-yl)piperidin-4-yl]methanol
CID 80756578
[1-(2-amino-5-methylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 80757639
[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]methanol
CID 80710491
4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-2-amine
CID 80844727

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-amino-5-chloropyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(2-amino-5-chloropyrimidin-4-yl)pyrrolidin-3-yl]ethanol (CID 114802870) is 2-[1-(2-amino-5-chloropyrimidin-4-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(2-amino-5-chloropyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(2-amino-5-chloropyrimidin-4-yl)pyrrolidin-3-yl]ethanol is Nc1ncc(Cl)c(N2CCC(CCO)C2)n1.
What is the InChIKey of 2-[1-(2-amino-5-chloropyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is WJKKCGGAAKFHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4O/c11-8-5-13-10(12)14-9(8)15-3-1-7(6-15)2-4-16/h5,7,16H,1-4,6H2,(H2,12,13,14).
What are the key properties of 2-[1-(2-amino-5-chloropyrimidin-4-yl)pyrrolidin-3-yl]ethanol?
2-[1-(2-amino-5-chloropyrimidin-4-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 242.71 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-amino-5-chloropyrimidin-4-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114802870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).