(Z)-3-[(Z)-5-(2,5-dichloropyrimidin-4-yl)pent-2-en-3-yl]-2-methylhex-3-enamide

C16H21Cl2N3O — CID 144572132

IUPAC(Z)-3-[(Z)-5-(2,5-dichloropyrimidin-4-yl)pent-2-en-3-yl]-2-methylhex-3-enamide
SMILESC/C=C(CCc1nc(Cl)ncc1Cl)\C(=C/CC)C(C)C(N)=O
InChIInChI=1S/C16H21Cl2N3O/c1-4-6-12(10(3)15(19)22)11(5-2)7-8-14-13(17)9-20-16(18)21-14/h5-6,9-10H,4,7-8H2,1-3H3,(H2,19,22)/b11-5-,12-6-
InChIKeyLWWPOXOPXYXDGD-CBIKUMSCSA-N
MW342.27 g/mol
LogP4.12
Rot. Bonds7

About (Z)-3-[(Z)-5-(2,5-dichloropyrimidin-4-yl)pent-2-en-3-yl]-2-methylhex-3-enamide

(Z)-3-[(Z)-5-(2,5-dichloropyrimidin-4-yl)pent-2-en-3-yl]-2-methylhex-3-enamide (PubChem CID 144572132) has the molecular formula C16H21Cl2N3O and a molecular weight of 342.27 g/mol. Its IUPAC name is (Z)-3-[(Z)-5-(2,5-dichloropyrimidin-4-yl)pent-2-en-3-yl]-2-methylhex-3-enamide.

Molecular Properties

Compound Name(Z)-3-[(Z)-5-(2,5-dichloropyrimidin-4-yl)pent-2-en-3-yl]-2-methylhex-3-enamide
PubChem CID144572132
Molecular FormulaC16H21Cl2N3O
Molecular Weight342.27 g/mol
Exact Mass341.11
IUPAC Name(Z)-3-[(Z)-5-(2,5-dichloropyrimidin-4-yl)pent-2-en-3-yl]-2-methylhex-3-enamide
SMILESC/C=C(CCc1nc(Cl)ncc1Cl)\C(=C/CC)C(C)C(N)=O
InChIInChI=1S/C16H21Cl2N3O/c1-4-6-12(10(3)15(19)22)11(5-2)7-8-14-13(17)9-20-16(18)21-14/h5-6,9-10H,4,7-8H2,1-3H3,(H2,19,22)/b11-5-,12-6-
InChIKeyLWWPOXOPXYXDGD-CBIKUMSCSA-N
XLogP4.12
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.27
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(2,5-Dichloropyrimidin-4-yl)propyl]-5-fluorocyclohexa-1,3-diene-1-carboxamide
CID 149966253
N-[(1R,2S)-2-[(2,5-dichloropyrimidin-4-yl)methyl]cyclohexyl]acetamide
CID 58201006
2-(2-(2-(2,5-Dichloropyrimidin-4-yl)ethyl)phenyl)propanamide
CID 86712307
2-(2-(2-(2,5-Dichloropyrimidin-4-yl)ethyl)phenyl)-2-methylpropanamide
CID 86712313
2-(2-(2-(2,5-Dichloropyrimidin-4-yl)ethyl)phenyl)acetamide
CID 86712740
5-(6-Chloro-5-propylpyrimidin-4-yl)-3-methylpentanamide
CID 87758792
1-[2-[2-(2,5-Dichloropyrimidin-4-yl)ethyl]cyclopropyl]cyclopropane-1-carboxamide
CID 123341744
1-[2-[1-(2,5-Dichloropyrimidin-4-yl)propyl]-1-methylcyclopropyl]ethanone
CID 123597799
1-[(2E,4Z)-4-[2-(2,5-dichloropyrimidin-4-yl)ethyl]hepta-2,4-dien-3-yl]cyclopropane-1-carboxamide
CID 144572125
1-[(2Z,4E)-3-[2-(2,5-dichloropyrimidin-4-yl)ethyl]hepta-2,4-dien-4-yl]cyclopropane-1-carbaldehyde;methanamine
CID 144572142
2-[6-[2-(2,5-Dichloropyrimidin-4-yl)ethyl]cyclohexa-1,5-dien-1-yl]propanamide
CID 144572145
1-[6-[2-(2,5-Dichloropyrimidin-4-yl)ethyl]cyclohexa-1,5-dien-1-yl]cyclopropane-1-carboxamide
CID 144572171

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(Z)-5-(2,5-dichloropyrimidin-4-yl)pent-2-en-3-yl]-2-methylhex-3-enamide?
The IUPAC name of (Z)-3-[(Z)-5-(2,5-dichloropyrimidin-4-yl)pent-2-en-3-yl]-2-methylhex-3-enamide (CID 144572132) is (Z)-3-[(Z)-5-(2,5-dichloropyrimidin-4-yl)pent-2-en-3-yl]-2-methylhex-3-enamide.
What is the SMILES notation for (Z)-3-[(Z)-5-(2,5-dichloropyrimidin-4-yl)pent-2-en-3-yl]-2-methylhex-3-enamide?
The canonical SMILES for (Z)-3-[(Z)-5-(2,5-dichloropyrimidin-4-yl)pent-2-en-3-yl]-2-methylhex-3-enamide is C/C=C(CCc1nc(Cl)ncc1Cl)\C(=C/CC)C(C)C(N)=O.
What is the InChIKey of (Z)-3-[(Z)-5-(2,5-dichloropyrimidin-4-yl)pent-2-en-3-yl]-2-methylhex-3-enamide?
The InChIKey is LWWPOXOPXYXDGD-CBIKUMSCSA-N. The full InChI is InChI=1S/C16H21Cl2N3O/c1-4-6-12(10(3)15(19)22)11(5-2)7-8-14-13(17)9-20-16(18)21-14/h5-6,9-10H,4,7-8H2,1-3H3,(H2,19,22)/b11-5-,12-6-.
What are the key properties of (Z)-3-[(Z)-5-(2,5-dichloropyrimidin-4-yl)pent-2-en-3-yl]-2-methylhex-3-enamide?
(Z)-3-[(Z)-5-(2,5-dichloropyrimidin-4-yl)pent-2-en-3-yl]-2-methylhex-3-enamide has a molecular weight of 342.27 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(Z)-5-(2,5-dichloropyrimidin-4-yl)pent-2-en-3-yl]-2-methylhex-3-enamide is sourced from PubChem (CID 144572132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).