[1-(5-amino-6-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanol

C9H13ClN4O — CID 63022043

IUPAC[1-(5-amino-6-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESNc1c(Cl)ncnc1N1CCCC1CO
InChIInChI=1S/C9H13ClN4O/c10-8-7(11)9(13-5-12-8)14-3-1-2-6(14)4-15/h5-6,15H,1-4,11H2
InChIKeyGLRQSAWMWZVCCZ-UHFFFAOYSA-N
MW228.68 g/mol
LogP0.67
Rot. Bonds2

About [1-(5-amino-6-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanol

[1-(5-amino-6-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanol (PubChem CID 63022043) has the molecular formula C9H13ClN4O and a molecular weight of 228.68 g/mol. Its IUPAC name is [1-(5-amino-6-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(5-amino-6-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanol
PubChem CID63022043
Molecular FormulaC9H13ClN4O
Molecular Weight228.68 g/mol
Exact Mass228.08
IUPAC Name[1-(5-amino-6-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanol
SMILESNc1c(Cl)ncnc1N1CCCC1CO
InChIInChI=1S/C9H13ClN4O/c10-8-7(11)9(13-5-12-8)14-3-1-2-6(14)4-15/h5-6,15H,1-4,11H2
InChIKeyGLRQSAWMWZVCCZ-UHFFFAOYSA-N
XLogP0.67
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(5-amino-6-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(5-amino-6-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanol (CID 63022043) is [1-(5-amino-6-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(5-amino-6-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(5-amino-6-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanol is Nc1c(Cl)ncnc1N1CCCC1CO.
What is the InChIKey of [1-(5-amino-6-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanol?
The InChIKey is GLRQSAWMWZVCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4O/c10-8-7(11)9(13-5-12-8)14-3-1-2-6(14)4-15/h5-6,15H,1-4,11H2.
What are the key properties of [1-(5-amino-6-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanol?
[1-(5-amino-6-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanol has a molecular weight of 228.68 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-amino-6-chloropyrimidin-4-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 63022043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).