3-cyclohexyl-N-(5,6-dichloropyrimidin-4-yl)propanamide

C13H17Cl2N3O — CID 114050143

IUPAC3-cyclohexyl-N-(5,6-dichloropyrimidin-4-yl)propanamide
SMILESO=C(CCC1CCCCC1)Nc1ncnc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2N3O/c14-11-12(15)16-8-17-13(11)18-10(19)7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,16,17,18,19)
InChIKeyQYWKTTRMQGYSAI-UHFFFAOYSA-N
MW302.20 g/mol
LogP4.08
Rot. Bonds4

About 3-cyclohexyl-N-(5,6-dichloropyrimidin-4-yl)propanamide

3-cyclohexyl-N-(5,6-dichloropyrimidin-4-yl)propanamide (PubChem CID 114050143) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.20 g/mol. Its IUPAC name is 3-cyclohexyl-N-(5,6-dichloropyrimidin-4-yl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-(5,6-dichloropyrimidin-4-yl)propanamide
PubChem CID114050143
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.20 g/mol
Exact Mass301.07
IUPAC Name3-cyclohexyl-N-(5,6-dichloropyrimidin-4-yl)propanamide
SMILESO=C(CCC1CCCCC1)Nc1ncnc(Cl)c1Cl
InChIInChI=1S/C13H17Cl2N3O/c14-11-12(15)16-8-17-13(11)18-10(19)7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,16,17,18,19)
InChIKeyQYWKTTRMQGYSAI-UHFFFAOYSA-N
XLogP4.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-chloro-3-pyridinyl)-3-cyclohexylpropanamide
CID 113231839
N-(6-chloro-5-methyl-3-pyridinyl)-3-cyclopentylpropanamide
CID 103730306
2-amino-3-cyclopropyl-N-(5,6-dichloropyrimidin-4-yl)propanamide
CID 112735461
(2S)-N-(5,6-dichloropyrimidin-4-yl)piperidine-2-carboxamide
CID 114049507
N-(3-chlorophenyl)-3-cyclohexylpropanamide
CID 803651
3-cyclohexyl-N-[5-(3-cyclohexylpropanoylamino)naphthalen-1-yl]propanamide
CID 27126992
3-cyclohexyl-N-(4-sulfanylphenyl)propanamide
CID 27125888
3-cyclohexyl-N-(2-piperidin-1-ylpyrimidin-5-yl)propanamide
CID 122298424
N-(5,6-dichloropyrimidin-4-yl)-2-phenoxyacetamide
CID 114050083
[2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] 3-cyclohexylpropanoate
CID 8815659
N-(5-amino-4-methyl-2-pyridinyl)-3-cyclohexylpropanamide
CID 61293878
N-(1H-benzimidazol-2-yl)-3-cyclopentylpropanamide
CID 4659981

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-(5,6-dichloropyrimidin-4-yl)propanamide?
The IUPAC name of 3-cyclohexyl-N-(5,6-dichloropyrimidin-4-yl)propanamide (CID 114050143) is 3-cyclohexyl-N-(5,6-dichloropyrimidin-4-yl)propanamide.
What is the SMILES notation for 3-cyclohexyl-N-(5,6-dichloropyrimidin-4-yl)propanamide?
The canonical SMILES for 3-cyclohexyl-N-(5,6-dichloropyrimidin-4-yl)propanamide is O=C(CCC1CCCCC1)Nc1ncnc(Cl)c1Cl.
What is the InChIKey of 3-cyclohexyl-N-(5,6-dichloropyrimidin-4-yl)propanamide?
The InChIKey is QYWKTTRMQGYSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c14-11-12(15)16-8-17-13(11)18-10(19)7-6-9-4-2-1-3-5-9/h8-9H,1-7H2,(H,16,17,18,19).
What are the key properties of 3-cyclohexyl-N-(5,6-dichloropyrimidin-4-yl)propanamide?
3-cyclohexyl-N-(5,6-dichloropyrimidin-4-yl)propanamide has a molecular weight of 302.20 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-(5,6-dichloropyrimidin-4-yl)propanamide is sourced from PubChem (CID 114050143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).