2-(1-hydroxycyclohexyl)-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

C18H28N4O2 — CID 110091138

IUPAC2-(1-hydroxycyclohexyl)-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCNc1cc(C2CCCN2C(=O)CC2(O)CCCCC2)nc(C)n1
InChIInChI=1S/C18H28N4O2/c1-13-20-14(11-16(19-2)21-13)15-7-6-10-22(15)17(23)12-18(24)8-4-3-5-9-18/h11,15,24H,3-10,12H2,1-2H3,(H,19,20,21)
InChIKeyYPFLCKVNFMSQEC-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.58
Rot. Bonds4

About 2-(1-hydroxycyclohexyl)-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone

2-(1-hydroxycyclohexyl)-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (PubChem CID 110091138) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-(1-hydroxycyclohexyl)-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-hydroxycyclohexyl)-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
PubChem CID110091138
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-(1-hydroxycyclohexyl)-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
SMILESCNc1cc(C2CCCN2C(=O)CC2(O)CCCCC2)nc(C)n1
InChIInChI=1S/C18H28N4O2/c1-13-20-14(11-16(19-2)21-13)15-7-6-10-22(15)17(23)12-18(24)8-4-3-5-9-18/h11,15,24H,3-10,12H2,1-2H3,(H,19,20,21)
InChIKeyYPFLCKVNFMSQEC-UHFFFAOYSA-N
XLogP2.58
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 95832778
1-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 124976129
1-[(2S)-2-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 95832776
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124973727
(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 124953053
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 125008651
1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-4-pyrazol-1-ylbutan-1-one
CID 110119264
4-(3,5-dimethylpyrazol-1-yl)-1-[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]butan-1-one
CID 124955437
[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(4-methylthiophen-2-yl)methanone
CID 110091139
1-[2-[6-(dimethylamino)pyrazin-2-yl]pyrrolidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 127247057
2-(3-fluorophenoxy)-1-[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 124957065
[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 124975862

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclohexyl)-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(1-hydroxycyclohexyl)-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone (CID 110091138) is 2-(1-hydroxycyclohexyl)-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(1-hydroxycyclohexyl)-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(1-hydroxycyclohexyl)-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is CNc1cc(C2CCCN2C(=O)CC2(O)CCCCC2)nc(C)n1.
What is the InChIKey of 2-(1-hydroxycyclohexyl)-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
The InChIKey is YPFLCKVNFMSQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-13-20-14(11-16(19-2)21-13)15-7-6-10-22(15)17(23)12-18(24)8-4-3-5-9-18/h11,15,24H,3-10,12H2,1-2H3,(H,19,20,21).
What are the key properties of 2-(1-hydroxycyclohexyl)-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone?
2-(1-hydroxycyclohexyl)-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone has a molecular weight of 332.45 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclohexyl)-1-[2-[2-methyl-6-(methylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110091138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).