[1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol

C13H22N4O — CID 102789860

IUPAC[1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
SMILESCNc1nc(C)nc(N2CCC(C)C2CO)c1C
InChIInChI=1S/C13H22N4O/c1-8-5-6-17(11(8)7-18)13-9(2)12(14-4)15-10(3)16-13/h8,11,18H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyCAFRCDYSMZPVFX-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.34
Rot. Bonds3

About [1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol

[1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102789860) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102789860
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
SMILESCNc1nc(C)nc(N2CCC(C)C2CO)c1C
InChIInChI=1S/C13H22N4O/c1-8-5-6-17(11(8)7-18)13-9(2)12(14-4)15-10(3)16-13/h8,11,18H,5-7H2,1-4H3,(H,14,15,16)
InChIKeyCAFRCDYSMZPVFX-UHFFFAOYSA-N
XLogP1.34
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]azepan-2-yl]methanol
CID 116640681
[1-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
CID 102789896
6-(2,4-dimethylpiperidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 80825971
6-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N,2,5-trimethylpyrimidin-4-amine
CID 102729117
N,2,5-trimethyl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80856296
6-(4-ethylpiperidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 80795154
N,2,5-trimethyl-6-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-amine
CID 80854791
[1-(4,6-dimethylpyrimidin-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102787035
6-(3,4-dimethoxypyrrolidin-1-yl)-N,2,5-trimethylpyrimidin-4-amine
CID 103541950
[1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
CID 102789926
3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-5,6-dimethylpyridazine-4-carboximidamide
CID 102781482
[1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-3-methylpyrrolidin-2-yl]methanol
CID 102789968

Frequently Asked Questions

What is the IUPAC name of [1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol (CID 102789860) is [1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol is CNc1nc(C)nc(N2CCC(C)C2CO)c1C.
What is the InChIKey of [1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is CAFRCDYSMZPVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-8-5-6-17(11(8)7-18)13-9(2)12(14-4)15-10(3)16-13/h8,11,18H,5-7H2,1-4H3,(H,14,15,16).
What are the key properties of [1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol?
[1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 250.35 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102789860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).