[1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol

C13H22N4O — CID 102789926

IUPAC[1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
SMILESCCNc1ncc(C)c(N2CCC(C)C2CO)n1
InChIInChI=1S/C13H22N4O/c1-4-14-13-15-7-10(3)12(16-13)17-6-5-9(2)11(17)8-18/h7,9,11,18H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyILGGBLAHGUTIOQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.42
Rot. Bonds4

About [1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol

[1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102789926) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is [1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102789926
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name[1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
SMILESCCNc1ncc(C)c(N2CCC(C)C2CO)n1
InChIInChI=1S/C13H22N4O/c1-4-14-13-15-7-10(3)12(16-13)17-6-5-9(2)11(17)8-18/h7,9,11,18H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyILGGBLAHGUTIOQ-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-4-methylpiperidin-3-ol
CID 102971036
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-ethyl-5-methylpyrimidin-2-amine
CID 80825001
[1-[6-(ethylamino)-5-methyl-2-propylpyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol
CID 102789896
4-(3,5-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-2-amine
CID 80767776
4-(4,4-dimethylpiperidin-1-yl)-N-ethyl-5-methylpyrimidin-2-amine
CID 80824282
[1-(2,5-dichloropyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102784143
N-ethyl-5-methyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine
CID 80815193
N-ethyl-4-(4-ethylazepan-1-yl)-5-methylpyrimidin-2-amine
CID 80837924
5-methyl-4-(2-methylpiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80767020
N-ethyl-5-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pyrimidin-2-amine
CID 80827968
N-ethyl-5-methyl-4-(2-methylcyclohexyl)oxypyrimidin-2-amine
CID 80859417
[1-(2-amino-5-bromopyrimidin-4-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102789914

Frequently Asked Questions

What is the IUPAC name of [1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol (CID 102789926) is [1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol is CCNc1ncc(C)c(N2CCC(C)C2CO)n1.
What is the InChIKey of [1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is ILGGBLAHGUTIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-14-13-15-7-10(3)12(16-13)17-6-5-9(2)11(17)8-18/h7,9,11,18H,4-6,8H2,1-3H3,(H,14,15,16).
What are the key properties of [1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol?
[1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 250.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(ethylamino)-5-methylpyrimidin-4-yl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102789926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).