3-[1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol

C13H22N4O — CID 80935418

IUPAC3-[1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
SMILESCCc1nc(N)cc(N2CCCC2CCCO)n1
InChIInChI=1S/C13H22N4O/c1-2-12-15-11(14)9-13(16-12)17-7-3-5-10(17)6-4-8-18/h9-10,18H,2-8H2,1H3,(H2,14,15,16)
InChIKeyLRZLGCORUGBYOA-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.36
Rot. Bonds5

About 3-[1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol

3-[1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 80935418) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-[1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
PubChem CID80935418
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-[1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
SMILESCCc1nc(N)cc(N2CCCC2CCCO)n1
InChIInChI=1S/C13H22N4O/c1-2-12-15-11(14)9-13(16-12)17-7-3-5-10(17)6-4-8-18/h9-10,18H,2-8H2,1H3,(H2,14,15,16)
InChIKeyLRZLGCORUGBYOA-UHFFFAOYSA-N
XLogP1.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80827064
2-[1-(6-amino-2-propylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol
CID 112748827
3-[1-[6-chloro-2-(methoxymethyl)pyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
CID 113400951
2-ethyl-6-(2-methylazepan-1-yl)pyrimidin-4-amine
CID 80934998
[1-(6-chloro-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80936341
[1-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80794639
[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80794344
2-[1-(6-amino-2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 80955483
3-[1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80964581
3-[1-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80951421
3-[1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80964573
3-[1-[6-(ethylamino)-2-propan-2-ylpyrimidin-4-yl]pyrrolidin-2-yl]propan-1-ol
CID 80958414

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol (CID 80935418) is 3-[1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol is CCc1nc(N)cc(N2CCCC2CCCO)n1.
What is the InChIKey of 3-[1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is LRZLGCORUGBYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-12-15-11(14)9-13(16-12)17-7-3-5-10(17)6-4-8-18/h9-10,18H,2-8H2,1H3,(H2,14,15,16).
What are the key properties of 3-[1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 250.35 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 80935418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).