cyclobutyl-[(3R)-3-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone

C14H19N3O — CID 95730626

IUPACcyclobutyl-[(3R)-3-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1nccc([C@@H]2CCN(C(=O)C3CCC3)C2)n1
InChIInChI=1S/C14H19N3O/c1-10-15-7-5-13(16-10)12-6-8-17(9-12)14(18)11-3-2-4-11/h5,7,11-12H,2-4,6,8-9H2,1H3/t12-/m1/s1
InChIKeyHSKMQSKXTCSWIP-GFCCVEGCSA-N
MW245.33 g/mol
LogP1.90
Rot. Bonds2

About cyclobutyl-[(3R)-3-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone

cyclobutyl-[(3R)-3-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 95730626) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is cyclobutyl-[(3R)-3-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[(3R)-3-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
PubChem CID95730626
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Namecyclobutyl-[(3R)-3-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1nccc([C@@H]2CCN(C(=O)C3CCC3)C2)n1
InChIInChI=1S/C14H19N3O/c1-10-15-7-5-13(16-10)12-6-8-17(9-12)14(18)11-3-2-4-11/h5,7,11-12H,2-4,6,8-9H2,1H3/t12-/m1/s1
InChIKeyHSKMQSKXTCSWIP-GFCCVEGCSA-N
XLogP1.90
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110253739
[3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-cyclobutylmethanone
CID 110269324
[(3R)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940557
[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 124940558
2-(azocan-1-yl)-1-[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 90650761
[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 124968705
cyclobutyl-[(3R)-3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093689
cyclopentyl-[3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 118740278
5-[4-(2-methylpyrimidin-4-yl)piperidine-1-carbonyl]-1-prop-2-enylpiperidin-2-one
CID 90653707
cyclohexyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 155902293
2-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]acetamide
CID 110250261
cyclopentyl-[(3S)-3-[2-(3-methylphenyl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95093558

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[(3R)-3-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[(3R)-3-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone (CID 95730626) is cyclobutyl-[(3R)-3-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[(3R)-3-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[(3R)-3-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone is Cc1nccc([C@@H]2CCN(C(=O)C3CCC3)C2)n1.
What is the InChIKey of cyclobutyl-[(3R)-3-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is HSKMQSKXTCSWIP-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-15-7-5-13(16-10)12-6-8-17(9-12)14(18)11-3-2-4-11/h5,7,11-12H,2-4,6,8-9H2,1H3/t12-/m1/s1.
What are the key properties of cyclobutyl-[(3R)-3-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone?
cyclobutyl-[(3R)-3-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 245.33 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[(3R)-3-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95730626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).