[1-[2-ethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol

C13H22N4O — CID 102789902

IUPAC[1-[2-ethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
SMILESCCc1nc(NC)cc(N2CCC(C)C2CO)n1
InChIInChI=1S/C13H22N4O/c1-4-11-15-12(14-3)7-13(16-11)17-6-5-9(2)10(17)8-18/h7,9-10,18H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyHELPGXNOEYUWNE-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.29
Rot. Bonds4

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

[1-[2-ethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102789902) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [1-[2-ethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-ethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102789902
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[1-[2-ethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
SMILESCCc1nc(NC)cc(N2CCC(C)C2CO)n1
InChIInChI=1S/C13H22N4O/c1-4-11-15-12(14-3)7-13(16-11)17-6-5-9(2)10(17)8-18/h7,9-10,18H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyHELPGXNOEYUWNE-UHFFFAOYSA-N
XLogP1.29
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102790003
[3-methyl-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 102789924
6-(2,4-dimethylpiperidin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80935192
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80942504
[1-[2-ethyl-6-(methylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 80933961
2-ethyl-N-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80933251
2-ethyl-N-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 80933335
2-ethyl-6-(4-ethyl-3-methylpiperazin-1-yl)-N-methylpyrimidin-4-amine
CID 80934561
2-ethyl-N-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80934171
6-(3,5-dimethylpiperidin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80933757
[1-(6-hydrazinyl-2-pyridinyl)-3-methylpyrrolidin-2-yl]methanol
CID 102789983
1-[2-ethyl-6-(methylamino)pyrimidin-4-yl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198613

Frequently Asked Questions

What is the IUPAC name of [1-[2-ethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-ethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol (CID 102789902) is [1-[2-ethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-ethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-ethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol is CCc1nc(NC)cc(N2CCC(C)C2CO)n1.
What is the InChIKey of [1-[2-ethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is HELPGXNOEYUWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-11-15-12(14-3)7-13(16-11)17-6-5-9(2)10(17)8-18/h7,9-10,18H,4-6,8H2,1-3H3,(H,14,15,16).
What are the key properties of [1-[2-ethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol?
[1-[2-ethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 250.35 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-ethyl-6-(methylamino)pyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102789902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).