3-cyclohexyl-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide

C20H30N6O — CID 121072377

IUPAC3-cyclohexyl-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide
SMILESCc1cc(C)n(-c2cc(NCCNC(=O)CCC3CCCCC3)ncn2)n1
InChIInChI=1S/C20H30N6O/c1-15-12-16(2)26(25-15)19-13-18(23-14-24-19)21-10-11-22-20(27)9-8-17-6-4-3-5-7-17/h12-14,17H,3-11H2,1-2H3,(H,22,27)(H,21,23,24)
InChIKeyIHKMRMATYMCCLU-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.17
Rot. Bonds8

About 3-cyclohexyl-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide

3-cyclohexyl-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide (PubChem CID 121072377) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 3-cyclohexyl-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide
PubChem CID121072377
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name3-cyclohexyl-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide
SMILESCc1cc(C)n(-c2cc(NCCNC(=O)CCC3CCCCC3)ncn2)n1
InChIInChI=1S/C20H30N6O/c1-15-12-16(2)26(25-15)19-13-18(23-14-24-19)21-10-11-22-20(27)9-8-17-6-4-3-5-7-17/h12-14,17H,3-11H2,1-2H3,(H,22,27)(H,21,23,24)
InChIKeyIHKMRMATYMCCLU-UHFFFAOYSA-N
XLogP3.17
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-pyrrol-1-ylacetamide
CID 122289698
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-phenylacetamide
CID 56699991
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 122289697
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-pyrazol-1-ylacetamide
CID 122289694
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 121072417
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-3,5-dimethylbenzamide
CID 121072405
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(4-fluorophenoxy)acetamide
CID 122289605
3-cyclopentyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
CID 122293845
3-cyclohexyl-N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]propanamide
CID 122314111
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(2-methoxyphenyl)acetamide
CID 122289648
4-bromo-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]benzamide
CID 121072408
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]-4-methylthiophene-2-carboxamide
CID 122289638

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide (CID 121072377) is 3-cyclohexyl-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide is Cc1cc(C)n(-c2cc(NCCNC(=O)CCC3CCCCC3)ncn2)n1.
What is the InChIKey of 3-cyclohexyl-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide?
The InChIKey is IHKMRMATYMCCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O/c1-15-12-16(2)26(25-15)19-13-18(23-14-24-19)21-10-11-22-20(27)9-8-17-6-4-3-5-7-17/h12-14,17H,3-11H2,1-2H3,(H,22,27)(H,21,23,24).
What are the key properties of 3-cyclohexyl-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide?
3-cyclohexyl-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide has a molecular weight of 370.50 g/mol, XLogP of 3.17, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]ethyl]propanamide is sourced from PubChem (CID 121072377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).