[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

C18H27N5O — CID 91775146

IUPAC[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESNC1CC(c2cc(N3CCC(C(=O)N4CCCC4)CC3)ncn2)C1
InChIInChI=1S/C18H27N5O/c19-15-9-14(10-15)16-11-17(21-12-20-16)22-7-3-13(4-8-22)18(24)23-5-1-2-6-23/h11-15H,1-10,19H2
InChIKeyDOZGYTUZAPRJOH-UHFFFAOYSA-N
MW329.45 g/mol
LogP1.52
Rot. Bonds3

About [1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone

[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 91775146) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is [1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID91775146
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
SMILESNC1CC(c2cc(N3CCC(C(=O)N4CCCC4)CC3)ncn2)C1
InChIInChI=1S/C18H27N5O/c19-15-9-14(10-15)16-11-17(21-12-20-16)22-7-3-13(4-8-22)18(24)23-5-1-2-6-23/h11-15H,1-10,19H2
InChIKeyDOZGYTUZAPRJOH-UHFFFAOYSA-N
XLogP1.52
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 3223312
N-cycloheptyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892455
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclohexylmethyl-amide
CID 653492
N-(4-methylcyclohexyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91809779
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
N-[2-[2-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]ethyl]cyclobutanecarboxamide
CID 46974099
N-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 56707526
N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 56713366
1-(4-cyclopentylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide
CID 56870713
2-(4-Cyclobutyl-6-methylpyrimidin-2-yl)-7-methyl-2,7-diazaspiro[4.5]decan-6-one
CID 56870839
3-(4-Cyclobutyl-6-methylpyrimidin-2-YL)-3,9-diazaspiro[5.6]dodecan-10-one
CID 56873721

Frequently Asked Questions

What is the IUPAC name of [1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone (CID 91775146) is [1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is NC1CC(c2cc(N3CCC(C(=O)N4CCCC4)CC3)ncn2)C1.
What is the InChIKey of [1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DOZGYTUZAPRJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c19-15-9-14(10-15)16-11-17(21-12-20-16)22-7-3-13(4-8-22)18(24)23-5-1-2-6-23/h11-15H,1-10,19H2.
What are the key properties of [1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone?
[1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 329.45 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(3-aminocyclobutyl)pyrimidin-4-yl]piperidin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 91775146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).