2-ethyl-6-[(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile

C13H18N4O — CID 126819606

IUPAC2-ethyl-6-[(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile
SMILESCCc1nc(C#N)cc(N2CCC[C@@H]2C(C)O)n1
InChIInChI=1S/C13H18N4O/c1-3-12-15-10(8-14)7-13(16-12)17-6-4-5-11(17)9(2)18/h7,9,11,18H,3-6H2,1-2H3/t9?,11-/m1/s1
InChIKeyXXNPRKLBSWVUKD-HCCKASOXSA-N
MW246.31 g/mol
LogP1.26
Rot. Bonds3

About 2-ethyl-6-[(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile

2-ethyl-6-[(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile (PubChem CID 126819606) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-ethyl-6-[(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-ethyl-6-[(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile
PubChem CID126819606
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-ethyl-6-[(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile
SMILESCCc1nc(C#N)cc(N2CCC[C@@H]2C(C)O)n1
InChIInChI=1S/C13H18N4O/c1-3-12-15-10(8-14)7-13(16-12)17-6-4-5-11(17)9(2)18/h7,9,11,18H,3-6H2,1-2H3/t9?,11-/m1/s1
InChIKeyXXNPRKLBSWVUKD-HCCKASOXSA-N
XLogP1.26
TPSA73.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol
CID 121201735
2-ethyl-6-morpholin-4-ylpyrimidine-4-carbonitrile
CID 116862851
2-ethyl-6-(5-methyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyrimidine-4-carbonitrile
CID 126825365
(1R)-1-[(2S)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 129499743
1-(2-ethyl-6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 80937172
N-ethyl-2-propan-2-yl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80959790
[2-ethyl-6-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80936973
[1-(6-chloro-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 80936341
1-[(2R)-1-pyrido[2,3-b]pyrazin-6-ylpyrrolidin-2-yl]ethanol
CID 126835844
6-[2-(1-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 64589189
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80942504
2-methyl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidin-4-amine
CID 80855816

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile?
The IUPAC name of 2-ethyl-6-[(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile (CID 126819606) is 2-ethyl-6-[(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile.
What is the SMILES notation for 2-ethyl-6-[(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile?
The canonical SMILES for 2-ethyl-6-[(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile is CCc1nc(C#N)cc(N2CCC[C@@H]2C(C)O)n1.
What is the InChIKey of 2-ethyl-6-[(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile?
The InChIKey is XXNPRKLBSWVUKD-HCCKASOXSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-12-15-10(8-14)7-13(16-12)17-6-4-5-11(17)9(2)18/h7,9,11,18H,3-6H2,1-2H3/t9?,11-/m1/s1.
What are the key properties of 2-ethyl-6-[(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile?
2-ethyl-6-[(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile has a molecular weight of 246.31 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[(2R)-2-(1-hydroxyethyl)pyrrolidin-1-yl]pyrimidine-4-carbonitrile is sourced from PubChem (CID 126819606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).