1-[[1-[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one

C19H29N5O — CID 91765692

IUPAC1-[[1-[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESCc1nc(C2CC(N)C2)cc(N2CCC(CN3CCCC3=O)CC2)n1
InChIInChI=1S/C19H29N5O/c1-13-21-17(15-9-16(20)10-15)11-18(22-13)23-7-4-14(5-8-23)12-24-6-2-3-19(24)25/h11,14-16H,2-10,12,20H2,1H3
InChIKeyXTQYKHALEBZIGO-UHFFFAOYSA-N
MW343.48 g/mol
LogP1.83
Rot. Bonds4

About 1-[[1-[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one

1-[[1-[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one (PubChem CID 91765692) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 1-[[1-[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[1-[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
PubChem CID91765692
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name1-[[1-[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one
SMILESCc1nc(C2CC(N)C2)cc(N2CCC(CN3CCCC3=O)CC2)n1
InChIInChI=1S/C19H29N5O/c1-13-21-17(15-9-16(20)10-15)11-18(22-13)23-7-4-14(5-8-23)12-24-6-2-3-19(24)25/h11,14-16H,2-10,12,20H2,1H3
InChIKeyXTQYKHALEBZIGO-UHFFFAOYSA-N
XLogP1.83
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[[1-[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 53257796
N-cyclopropyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223293
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid (2-cyclohex-1-enyl-ethyl)-amide
CID 649439
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid (1,1-dimethyl-propyl)-amide
CID 653435
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid cyclopentylamide
CID 655094
N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223312
1-(4,6-dimethylpyrimidin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 3224231
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclohexylmethyl-amide
CID 653492
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid propylamide
CID 655911
N-cycloheptyl-1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809845
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid sec-butylamide
CID 645777
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cycloheptylamide
CID 652382

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[1-[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one (CID 91765692) is 1-[[1-[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[1-[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[1-[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one is Cc1nc(C2CC(N)C2)cc(N2CCC(CN3CCCC3=O)CC2)n1.
What is the InChIKey of 1-[[1-[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one?
The InChIKey is XTQYKHALEBZIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-13-21-17(15-9-16(20)10-15)11-18(22-13)23-7-4-14(5-8-23)12-24-6-2-3-19(24)25/h11,14-16H,2-10,12,20H2,1H3.
What are the key properties of 1-[[1-[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one?
1-[[1-[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one has a molecular weight of 343.48 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[6-(3-aminocyclobutyl)-2-methylpyrimidin-4-yl]piperidin-4-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 91765692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).