2-[1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]ethanol

C14H22N4O — CID 114798539

IUPAC2-[1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(c2ncc(CNC3CC3)cn2)C1
InChIInChI=1S/C14H22N4O/c19-6-4-11-3-5-18(10-11)14-16-8-12(9-17-14)7-15-13-1-2-13/h8-9,11,13,15,19H,1-7,10H2
InChIKeyUXYOFIWEGMJDJJ-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.94
Rot. Bonds6

About 2-[1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]ethanol

2-[1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]ethanol (PubChem CID 114798539) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]ethanol
PubChem CID114798539
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(c2ncc(CNC3CC3)cn2)C1
InChIInChI=1S/C14H22N4O/c19-6-4-11-3-5-18(10-11)14-16-8-12(9-17-14)7-15-13-1-2-13/h8-9,11,13,15,19H,1-7,10H2
InChIKeyUXYOFIWEGMJDJJ-UHFFFAOYSA-N
XLogP0.94
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[5-[(2-methoxyethylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]ethanol
CID 114798536
2-(1-pyrimidin-2-ylpyrrolidin-3-yl)ethanol
CID 77059115
N-[[2-(azepan-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 55113924
[1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 113388101
2-[1-[5-[(cyclopropylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrrolidin-3-yl]ethanol
CID 114798675
2-[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 114798609
[1-(5-cyclohexylpyrimidin-2-yl)pyrrolidin-3-yl]methanol
CID 116976618
2-[1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 115657972
N-[[2-[3-(methoxymethyl)pyrrolidin-1-yl]-4-methylpyrimidin-5-yl]methyl]cyclopropanamine
CID 83189314
N-[[2-(7,7-dimethyl-1,4-thiazepan-4-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 107457100
2-[1-(5-chloropyrazin-2-yl)pyrrolidin-3-yl]ethanol
CID 130986944
2-[1-(5-bromopyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802313

Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]ethanol (CID 114798539) is 2-[1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]ethanol is OCCC1CCN(c2ncc(CNC3CC3)cn2)C1.
What is the InChIKey of 2-[1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]ethanol?
The InChIKey is UXYOFIWEGMJDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c19-6-4-11-3-5-18(10-11)14-16-8-12(9-17-14)7-15-13-1-2-13/h8-9,11,13,15,19H,1-7,10H2.
What are the key properties of 2-[1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]ethanol?
2-[1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]ethanol has a molecular weight of 262.36 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114798539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).