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

C16H19ClN4O2 — CID 22380438

IUPAC2-[1-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
SMILESNc1ncc(Oc2ccc(Cl)cc2)c(N2CCC(CCO)C2)n1
InChIInChI=1S/C16H19ClN4O2/c17-12-1-3-13(4-2-12)23-14-9-19-16(18)20-15(14)21-7-5-11(10-21)6-8-22/h1-4,9,11,22H,5-8,10H2,(H2,18,19,20)
InChIKeyDZWPIXQTZZRCTC-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.71
Rot. Bonds5

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

2-[1-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol (PubChem CID 22380438) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 2-[1-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
PubChem CID22380438
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name2-[1-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
SMILESNc1ncc(Oc2ccc(Cl)cc2)c(N2CCC(CCO)C2)n1
InChIInChI=1S/C16H19ClN4O2/c17-12-1-3-13(4-2-12)23-14-9-19-16(18)20-15(14)21-7-5-11(10-21)6-8-22/h1-4,9,11,22H,5-8,10H2,(H2,18,19,20)
InChIKeyDZWPIXQTZZRCTC-UHFFFAOYSA-N
XLogP2.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol (CID 22380438) is 2-[1-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol is Nc1ncc(Oc2ccc(Cl)cc2)c(N2CCC(CCO)C2)n1.
What is the InChIKey of 2-[1-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
The InChIKey is DZWPIXQTZZRCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c17-12-1-3-13(4-2-12)23-14-9-19-16(18)20-15(14)21-7-5-11(10-21)6-8-22/h1-4,9,11,22H,5-8,10H2,(H2,18,19,20).
What are the key properties of 2-[1-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
2-[1-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol has a molecular weight of 334.81 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-amino-5-(4-chlorophenoxy)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 22380438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).