1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]cyclopropyl]cyclopropane-1-carboxamide

C13H15Cl2N3O — CID 123341744

IUPAC1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]cyclopropyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(C2CC2CCc2nc(Cl)ncc2Cl)CC1
InChIInChI=1S/C13H15Cl2N3O/c14-9-6-17-12(15)18-10(9)2-1-7-5-8(7)13(3-4-13)11(16)19/h6-8H,1-5H2,(H2,16,19)
InChIKeySNDCXLVSVJLZRP-UHFFFAOYSA-N
MW300.19 g/mol
LogP2.62
Rot. Bonds5

About 1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]cyclopropyl]cyclopropane-1-carboxamide

1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]cyclopropyl]cyclopropane-1-carboxamide (PubChem CID 123341744) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is 1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]cyclopropyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]cyclopropyl]cyclopropane-1-carboxamide
PubChem CID123341744
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]cyclopropyl]cyclopropane-1-carboxamide
SMILESNC(=O)C1(C2CC2CCc2nc(Cl)ncc2Cl)CC1
InChIInChI=1S/C13H15Cl2N3O/c14-9-6-17-12(15)18-10(9)2-1-7-5-8(7)13(3-4-13)11(16)19/h6-8H,1-5H2,(H2,16,19)
InChIKeySNDCXLVSVJLZRP-UHFFFAOYSA-N
XLogP2.62
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(2,5-Dichloropyrimidin-4-yl)propyl]-5-fluorocyclohexa-1,3-diene-1-carboxamide
CID 149966253
1-[1-[5-Chloro-2-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]ethyl]cyclopropane-1-carboxamide
CID 90039513
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
(Z)-3-[(Z)-5-(2,5-dichloropyrimidin-4-yl)pent-2-en-3-yl]-2-methylhex-3-enamide
CID 144572132
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
2-[6-[2-(2,5-Dichloropyrimidin-4-yl)ethyl]cyclohexa-1,3-dien-1-yl]acetamide
CID 164172477
1-(5-Chloro-2-methylpyrimidin-4-yl)cyclopropane-1-carboxamide
CID 171833000
2-(5-Chloro-2-methoxypyrimidin-4-yl)-1-cyclopropylethanone
CID 80752676
1-[(2Z,4E)-3-[2-(2,5-dichloropyrimidin-4-yl)ethyl]hepta-2,4-dien-4-yl]cyclopropane-1-carbaldehyde
CID 144572143

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]cyclopropyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]cyclopropyl]cyclopropane-1-carboxamide (CID 123341744) is 1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]cyclopropyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]cyclopropyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]cyclopropyl]cyclopropane-1-carboxamide is NC(=O)C1(C2CC2CCc2nc(Cl)ncc2Cl)CC1.
What is the InChIKey of 1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]cyclopropyl]cyclopropane-1-carboxamide?
The InChIKey is SNDCXLVSVJLZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c14-9-6-17-12(15)18-10(9)2-1-7-5-8(7)13(3-4-13)11(16)19/h6-8H,1-5H2,(H2,16,19).
What are the key properties of 1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]cyclopropyl]cyclopropane-1-carboxamide?
1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]cyclopropyl]cyclopropane-1-carboxamide has a molecular weight of 300.19 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,5-dichloropyrimidin-4-yl)ethyl]cyclopropyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 123341744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).