[3-methyl-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol

C11H18N4O — CID 102789924

IUPAC[3-methyl-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCNc1cc(N2CCC(C)C2CO)ncn1
InChIInChI=1S/C11H18N4O/c1-8-3-4-15(9(8)6-16)11-5-10(12-2)13-7-14-11/h5,7-9,16H,3-4,6H2,1-2H3,(H,12,13,14)
InChIKeyVBVDOMVTYLLQFO-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.73
Rot. Bonds3

About [3-methyl-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol

[3-methyl-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol (PubChem CID 102789924) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is [3-methyl-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
PubChem CID102789924
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name[3-methyl-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
SMILESCNc1cc(N2CCC(C)C2CO)ncn1
InChIInChI=1S/C11H18N4O/c1-8-3-4-15(9(8)6-16)11-5-10(12-2)13-7-14-11/h5,7-9,16H,3-4,6H2,1-2H3,(H,12,13,14)
InChIKeyVBVDOMVTYLLQFO-UHFFFAOYSA-N
XLogP0.73
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2-ethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
CID 102789902
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
[1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 80755881
6-(2,3-dimethylpiperidin-1-yl)-N-methylpyrimidin-4-amine
CID 80821891
6-(3,4-dimethylpyrrolidin-1-yl)-N-methylpyrimidin-4-amine
CID 80848167
1-[6-(methylamino)pyrimidin-4-yl]azetidin-3-ol
CID 121206025
6-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]pyridine-3-carbonitrile
CID 102780806
[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102790003
6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine
CID 129372140
(1S)-1-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-4-pyridinyl]ethanol
CID 102782329
[1-[5-(hydroxymethyl)pyrazin-2-yl]-3-methylpyrrolidin-2-yl]methanol
CID 107372994
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-methylpyrimidin-4-amine
CID 102729101

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol (CID 102789924) is [3-methyl-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol is CNc1cc(N2CCC(C)C2CO)ncn1.
What is the InChIKey of [3-methyl-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
The InChIKey is VBVDOMVTYLLQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-3-4-15(9(8)6-16)11-5-10(12-2)13-7-14-11/h5,7-9,16H,3-4,6H2,1-2H3,(H,12,13,14).
What are the key properties of [3-methyl-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol?
[3-methyl-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol has a molecular weight of 222.29 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102789924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).