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

C13H20N4O — CID 113388101

IUPAC[1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1ncc(CNC2CC2)cn1
InChIInChI=1S/C13H20N4O/c18-9-12-2-1-5-17(12)13-15-7-10(8-16-13)6-14-11-3-4-11/h7-8,11-12,14,18H,1-6,9H2
InChIKeyLYZRLHPBZKBGRR-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.69
Rot. Bonds5

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

[1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-2-yl]methanol (PubChem CID 113388101) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is [1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
PubChem CID113388101
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name[1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1c1ncc(CNC2CC2)cn1
InChIInChI=1S/C13H20N4O/c18-9-12-2-1-5-17(12)13-15-7-10(8-16-13)6-14-11-3-4-11/h7-8,11-12,14,18H,1-6,9H2
InChIKeyLYZRLHPBZKBGRR-UHFFFAOYSA-N
XLogP0.69
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[5-[(propan-2-ylamino)methyl]pyrimidin-2-yl]azepan-2-yl]methanol
CID 116635501
N-[[2-(azepan-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 55113924
[(2R)-1-(5-fluoropyrimidin-2-yl)piperidin-2-yl]methanol
CID 97169521
[(2R)-1-[2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 97044430
[1-[4-[(cyclopropylamino)methyl]-2-fluorophenyl]piperidin-2-yl]methanol
CID 61407782
2-[1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-3-yl]ethanol
CID 114798539
[1-[4-[(cyclopropylamino)methyl]-2-fluorophenyl]azepan-2-yl]methanol
CID 116635505
2-[1-(5-cyclopentylpyrimidin-2-yl)pyrrolidin-2-yl]ethanol
CID 116976703
[(2R)-1-thieno[3,2-d]pyrimidin-2-ylpyrrolidin-2-yl]methanol
CID 90958967
[1-[5-(hydroxymethyl)-4-methylpyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 83184365
[1-[5-(3-bromophenyl)pyrimidin-2-yl]pyrrolidin-2-yl]methanol
CID 116976636
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 23541154

Frequently Asked Questions

What is the IUPAC name of [1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-2-yl]methanol (CID 113388101) is [1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-2-yl]methanol is OCC1CCCN1c1ncc(CNC2CC2)cn1.
What is the InChIKey of [1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
The InChIKey is LYZRLHPBZKBGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c18-9-12-2-1-5-17(12)13-15-7-10(8-16-13)6-14-11-3-4-11/h7-8,11-12,14,18H,1-6,9H2.
What are the key properties of [1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-2-yl]methanol?
[1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-2-yl]methanol has a molecular weight of 248.33 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-[(cyclopropylamino)methyl]pyrimidin-2-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 113388101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).