1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-ol

C8H11ClN4O — CID 72687128

IUPAC1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-ol
SMILESNc1nc(Cl)cc(N2CCC(O)C2)n1
InChIInChI=1S/C8H11ClN4O/c9-6-3-7(12-8(10)11-6)13-2-1-5(14)4-13/h3,5,14H,1-2,4H2,(H2,10,11,12)
InChIKeyGKBXQPLLBXLLTM-UHFFFAOYSA-N
MW214.66 g/mol
LogP0.28
Rot. Bonds1

About 1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-ol

1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 72687128) has the molecular formula C8H11ClN4O and a molecular weight of 214.66 g/mol. Its IUPAC name is 1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID72687128
Molecular FormulaC8H11ClN4O
Molecular Weight214.66 g/mol
Exact Mass214.06
IUPAC Name1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-ol
SMILESNc1nc(Cl)cc(N2CCC(O)C2)n1
InChIInChI=1S/C8H11ClN4O/c9-6-3-7(12-8(10)11-6)13-2-1-5(14)4-13/h3,5,14H,1-2,4H2,(H2,10,11,12)
InChIKeyGKBXQPLLBXLLTM-UHFFFAOYSA-N
XLogP0.28
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.66
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-ol (CID 72687128) is 1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-ol is Nc1nc(Cl)cc(N2CCC(O)C2)n1.
What is the InChIKey of 1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is GKBXQPLLBXLLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4O/c9-6-3-7(12-8(10)11-6)13-2-1-5(14)4-13/h3,5,14H,1-2,4H2,(H2,10,11,12).
What are the key properties of 1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-ol?
1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 214.66 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 72687128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).