6-cyclopropyl-2-(2,4-dichlorophenyl)-N-ethylpyrimidin-4-amine

C15H15Cl2N3 — CID 63481714

IUPAC6-cyclopropyl-2-(2,4-dichlorophenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(C2CC2)nc(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H15Cl2N3/c1-2-18-14-8-13(9-3-4-9)19-15(20-14)11-6-5-10(16)7-12(11)17/h5-9H,2-4H2,1H3,(H,18,19,20)
InChIKeyBCWJPKJSFFGUPP-UHFFFAOYSA-N
MW308.21 g/mol
LogP4.76
Rot. Bonds4

About 6-cyclopropyl-2-(2,4-dichlorophenyl)-N-ethylpyrimidin-4-amine

6-cyclopropyl-2-(2,4-dichlorophenyl)-N-ethylpyrimidin-4-amine (PubChem CID 63481714) has the molecular formula C15H15Cl2N3 and a molecular weight of 308.21 g/mol. Its IUPAC name is 6-cyclopropyl-2-(2,4-dichlorophenyl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-(2,4-dichlorophenyl)-N-ethylpyrimidin-4-amine
PubChem CID63481714
Molecular FormulaC15H15Cl2N3
Molecular Weight308.21 g/mol
Exact Mass307.06
IUPAC Name6-cyclopropyl-2-(2,4-dichlorophenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(C2CC2)nc(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C15H15Cl2N3/c1-2-18-14-8-13(9-3-4-9)19-15(20-14)11-6-5-10(16)7-12(11)17/h5-9H,2-4H2,1H3,(H,18,19,20)
InChIKeyBCWJPKJSFFGUPP-UHFFFAOYSA-N
XLogP4.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.21
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-(2,4-dichlorophenyl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-(2,4-dichlorophenyl)-N-ethylpyrimidin-4-amine (CID 63481714) is 6-cyclopropyl-2-(2,4-dichlorophenyl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-(2,4-dichlorophenyl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-(2,4-dichlorophenyl)-N-ethylpyrimidin-4-amine is CCNc1cc(C2CC2)nc(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 6-cyclopropyl-2-(2,4-dichlorophenyl)-N-ethylpyrimidin-4-amine?
The InChIKey is BCWJPKJSFFGUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N3/c1-2-18-14-8-13(9-3-4-9)19-15(20-14)11-6-5-10(16)7-12(11)17/h5-9H,2-4H2,1H3,(H,18,19,20).
What are the key properties of 6-cyclopropyl-2-(2,4-dichlorophenyl)-N-ethylpyrimidin-4-amine?
6-cyclopropyl-2-(2,4-dichlorophenyl)-N-ethylpyrimidin-4-amine has a molecular weight of 308.21 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(2,4-dichlorophenyl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 63481714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).