[1-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol

C16H23N3O — CID 82247848

IUPAC[1-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1ccc(C2=NCCCN2)cc1
InChIInChI=1S/C16H23N3O/c20-12-15-3-1-10-19(15)11-13-4-6-14(7-5-13)16-17-8-2-9-18-16/h4-7,15,20H,1-3,8-12H2,(H,17,18)
InChIKeyVPDHLSUALSAUBM-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.38
Rot. Bonds4

About [1-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol

[1-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 82247848) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is [1-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol
PubChem CID82247848
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name[1-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1Cc1ccc(C2=NCCCN2)cc1
InChIInChI=1S/C16H23N3O/c20-12-15-3-1-10-19(15)11-13-4-6-14(7-5-13)16-17-8-2-9-18-16/h4-7,15,20H,1-3,8-12H2,(H,17,18)
InChIKeyVPDHLSUALSAUBM-UHFFFAOYSA-N
XLogP1.38
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]methanol
CID 42127568
[1-(pyridin-4-ylmethyl)azepan-2-yl]methanol
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[(2S)-1-[(4-tert-butylphenyl)methyl]pyrrolidin-2-yl]methanol
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[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 60582294
4-[[(2R)-2-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
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[(2R)-1-[[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 141198459
N-[(1-benzylpyrrolidin-2-yl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 111337607
[1-(1H-pyrrol-3-ylmethyl)pyrrolidin-2-yl]methanol
CID 115882282
[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-2-yl]methanol
CID 23935026
[1-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-2-yl]methanol
CID 75467118
[1-[(3-amino-4-chlorophenyl)methyl]pyrrolidin-2-yl]methanol
CID 61407185
[(2S)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]methanol
CID 30979696

Frequently Asked Questions

What is the IUPAC name of [1-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol (CID 82247848) is [1-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol is OCC1CCCN1Cc1ccc(C2=NCCCN2)cc1.
What is the InChIKey of [1-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is VPDHLSUALSAUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c20-12-15-3-1-10-19(15)11-13-4-6-14(7-5-13)16-17-8-2-9-18-16/h4-7,15,20H,1-3,8-12H2,(H,17,18).
What are the key properties of [1-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol?
[1-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 273.38 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 82247848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).