[1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrrolidin-2-yl]methanol

C12H19N3O — CID 102787035

IUPAC[1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrrolidin-2-yl]methanol
SMILESCc1cc(C)nc(N2CCC(C)C2CO)n1
InChIInChI=1S/C12H19N3O/c1-8-4-5-15(11(8)7-16)12-13-9(2)6-10(3)14-12/h6,8,11,16H,4-5,7H2,1-3H3
InChIKeyVPPJOSBVSRKXDC-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.30
Rot. Bonds2

About [1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrrolidin-2-yl]methanol

[1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102787035) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrrolidin-2-yl]methanol
PubChem CID102787035
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrrolidin-2-yl]methanol
SMILESCc1cc(C)nc(N2CCC(C)C2CO)n1
InChIInChI=1S/C12H19N3O/c1-8-4-5-15(11(8)7-16)12-13-9(2)6-10(3)14-12/h6,8,11,16H,4-5,7H2,1-3H3
InChIKeyVPPJOSBVSRKXDC-UHFFFAOYSA-N
XLogP1.30
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4,6-dimethoxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102786850
N'-hydroxy-4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2,6-dimethylpyridine-3-carboximidamide
CID 102781359
[1-(4-amino-2-methylphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777305
[1-[4-(hydroxymethyl)-3-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
CID 102782359
[1-[2-(hydroxymethyl)-4-methylphenyl]-3-methylpyrrolidin-2-yl]methanol
CID 114054518
[1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-3-methylpyrrolidin-2-yl]methanol
CID 102789968
[1-(4-amino-3-methylphenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777435
[1-(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102790017
[1-(4-aminophenyl)-3-methylpyrrolidin-2-yl]methanol
CID 102777231
[3-methyl-1-(6-methyl-5-nitro-2-pyridinyl)pyrrolidin-2-yl]methanol
CID 102787157
[1-(6-amino-3,5-difluoro-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol
CID 114074767
(3-methyl-1-quinoxalin-2-ylpyrrolidin-2-yl)methanol
CID 102786728

Frequently Asked Questions

What is the IUPAC name of [1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrrolidin-2-yl]methanol (CID 102787035) is [1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrrolidin-2-yl]methanol is Cc1cc(C)nc(N2CCC(C)C2CO)n1.
What is the InChIKey of [1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is VPPJOSBVSRKXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-4-5-15(11(8)7-16)12-13-9(2)6-10(3)14-12/h6,8,11,16H,4-5,7H2,1-3H3.
What are the key properties of [1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrrolidin-2-yl]methanol?
[1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 221.30 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102787035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).