1-[1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol

C11H18N4O — CID 112629686

IUPAC1-[1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
SMILESCNc1nccc(N2CCC(C(C)O)C2)n1
InChIInChI=1S/C11H18N4O/c1-8(16)9-4-6-15(7-9)10-3-5-13-11(12-2)14-10/h3,5,8-9,16H,4,6-7H2,1-2H3,(H,12,13,14)
InChIKeyJVGKKTCDGSFYLH-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.73
Rot. Bonds3

About 1-[1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol

1-[1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol (PubChem CID 112629686) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
PubChem CID112629686
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-[1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
SMILESCNc1nccc(N2CCC(C(C)O)C2)n1
InChIInChI=1S/C11H18N4O/c1-8(16)9-4-6-15(7-9)10-3-5-13-11(12-2)14-10/h3,5,8-9,16H,4,6-7H2,1-2H3,(H,12,13,14)
InChIKeyJVGKKTCDGSFYLH-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

4-[3-(dimethylamino)pyrrolidin-1-yl]-N-methylpyrimidin-2-amine
CID 80827872
1-[2-(methylamino)pyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674543
[4-(4-propan-2-ylpiperidin-1-yl)pyrimidin-2-yl]hydrazine
CID 103504775
1-[2-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80754186
1-[1-(5-amino-6-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanol
CID 112624182
1-[1-(2-hydrazinyl-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 112629787
1-[1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol
CID 112629715
4-[3-(1-hydroxyethyl)pyrrolidin-1-yl]pyridine-2-carboxylic acid
CID 112625915
1-[1-[5-(methylaminomethyl)-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 112626663
1-[1-[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]ethanol
CID 115967439
1-[1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanamine
CID 103976873
1-[1-[5-[(1R)-1-hydroxyethyl]-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 103942856

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol (CID 112629686) is 1-[1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol is CNc1nccc(N2CCC(C(C)O)C2)n1.
What is the InChIKey of 1-[1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
The InChIKey is JVGKKTCDGSFYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8(16)9-4-6-15(7-9)10-3-5-13-11(12-2)14-10/h3,5,8-9,16H,4,6-7H2,1-2H3,(H,12,13,14).
What are the key properties of 1-[1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol?
1-[1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol 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 1-[1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112629686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).