4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylbutanamide

C14H23N5O — CID 91769461

IUPAC4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCNc1cc(C2CC(N)C2)ncn1
InChIInChI=1S/C14H23N5O/c1-19(2)14(20)4-3-5-16-13-8-12(17-9-18-13)10-6-11(15)7-10/h8-11H,3-7,15H2,1-2H3,(H,16,17,18)
InChIKeyXYQOFMIJUOAKAQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.96
Rot. Bonds6

About 4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylbutanamide

4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylbutanamide (PubChem CID 91769461) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylbutanamide
PubChem CID91769461
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCNc1cc(C2CC(N)C2)ncn1
InChIInChI=1S/C14H23N5O/c1-19(2)14(20)4-3-5-16-13-8-12(17-9-18-13)10-6-11(15)7-10/h8-11H,3-7,15H2,1-2H3,(H,16,17,18)
InChIKeyXYQOFMIJUOAKAQ-UHFFFAOYSA-N
XLogP0.96
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 53257796
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-4-carboxylic acid cyclopropylamide
CID 3223293
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
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-[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
N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
CID 56868588
1-(4-cyclopentylpyrimidin-2-yl)-N-ethylpyrrolidine-3-carboxamide
CID 56870713
3-(4-Cyclobutyl-6-methylpyrimidin-2-YL)-3,9-diazaspiro[5.6]dodecan-10-one
CID 56873721
3-(2-Methyl-6-(piperidin-4-yl)pyrimidin-4-yl)propanamide
CID 66509972

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylbutanamide?
The IUPAC name of 4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylbutanamide (CID 91769461) is 4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylbutanamide is CN(C)C(=O)CCCNc1cc(C2CC(N)C2)ncn1.
What is the InChIKey of 4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylbutanamide?
The InChIKey is XYQOFMIJUOAKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-19(2)14(20)4-3-5-16-13-8-12(17-9-18-13)10-6-11(15)7-10/h8-11H,3-7,15H2,1-2H3,(H,16,17,18).
What are the key properties of 4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylbutanamide?
4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylbutanamide has a molecular weight of 277.37 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]-N,N-dimethylbutanamide is sourced from PubChem (CID 91769461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).