[1-(4-aminopyrimidin-2-yl)pyrrolidin-2-yl]methanol

C9H14N4O — CID 115978244

IUPAC[1-(4-aminopyrimidin-2-yl)pyrrolidin-2-yl]methanol
SMILESNc1ccnc(N2CCCC2CO)n1
InChIInChI=1S/C9H14N4O/c10-8-3-4-11-9(12-8)13-5-1-2-7(13)6-14/h3-4,7,14H,1-2,5-6H2,(H2,10,11,12)
InChIKeyOUJHBFIMJNFAPC-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.02
Rot. Bonds2

About [1-(4-aminopyrimidin-2-yl)pyrrolidin-2-yl]methanol

[1-(4-aminopyrimidin-2-yl)pyrrolidin-2-yl]methanol (PubChem CID 115978244) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is [1-(4-aminopyrimidin-2-yl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(4-aminopyrimidin-2-yl)pyrrolidin-2-yl]methanol
PubChem CID115978244
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name[1-(4-aminopyrimidin-2-yl)pyrrolidin-2-yl]methanol
SMILESNc1ccnc(N2CCCC2CO)n1
InChIInChI=1S/C9H14N4O/c10-8-3-4-11-9(12-8)13-5-1-2-7(13)6-14/h3-4,7,14H,1-2,5-6H2,(H2,10,11,12)
InChIKeyOUJHBFIMJNFAPC-UHFFFAOYSA-N
XLogP0.02
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-aminopyrimidin-2-yl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(4-aminopyrimidin-2-yl)pyrrolidin-2-yl]methanol (CID 115978244) is [1-(4-aminopyrimidin-2-yl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(4-aminopyrimidin-2-yl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(4-aminopyrimidin-2-yl)pyrrolidin-2-yl]methanol is Nc1ccnc(N2CCCC2CO)n1.
What is the InChIKey of [1-(4-aminopyrimidin-2-yl)pyrrolidin-2-yl]methanol?
The InChIKey is OUJHBFIMJNFAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-8-3-4-11-9(12-8)13-5-1-2-7(13)6-14/h3-4,7,14H,1-2,5-6H2,(H2,10,11,12).
What are the key properties of [1-(4-aminopyrimidin-2-yl)pyrrolidin-2-yl]methanol?
[1-(4-aminopyrimidin-2-yl)pyrrolidin-2-yl]methanol has a molecular weight of 194.24 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-aminopyrimidin-2-yl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 115978244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).