6-chloro-2-cyclopropyl-N-(4-ethoxyphenyl)-5-methylpyrimidin-4-amine

C16H18ClN3O — CID 80974062

IUPAC6-chloro-2-cyclopropyl-N-(4-ethoxyphenyl)-5-methylpyrimidin-4-amine
SMILESCCOc1ccc(Nc2nc(C3CC3)nc(Cl)c2C)cc1
InChIInChI=1S/C16H18ClN3O/c1-3-21-13-8-6-12(7-9-13)18-15-10(2)14(17)19-16(20-15)11-4-5-11/h6-9,11H,3-5H2,1-2H3,(H,18,19,20)
InChIKeyMATQGJUOHWNKIV-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.46
Rot. Bonds5

About 6-chloro-2-cyclopropyl-N-(4-ethoxyphenyl)-5-methylpyrimidin-4-amine

6-chloro-2-cyclopropyl-N-(4-ethoxyphenyl)-5-methylpyrimidin-4-amine (PubChem CID 80974062) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 6-chloro-2-cyclopropyl-N-(4-ethoxyphenyl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-cyclopropyl-N-(4-ethoxyphenyl)-5-methylpyrimidin-4-amine
PubChem CID80974062
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name6-chloro-2-cyclopropyl-N-(4-ethoxyphenyl)-5-methylpyrimidin-4-amine
SMILESCCOc1ccc(Nc2nc(C3CC3)nc(Cl)c2C)cc1
InChIInChI=1S/C16H18ClN3O/c1-3-21-13-8-6-12(7-9-13)18-15-10(2)14(17)19-16(20-15)11-4-5-11/h6-9,11H,3-5H2,1-2H3,(H,18,19,20)
InChIKeyMATQGJUOHWNKIV-UHFFFAOYSA-N
XLogP4.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-cyclopropyl-N-(4-ethoxyphenyl)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-2-cyclopropyl-N-(4-ethoxyphenyl)-5-methylpyrimidin-4-amine (CID 80974062) is 6-chloro-2-cyclopropyl-N-(4-ethoxyphenyl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-cyclopropyl-N-(4-ethoxyphenyl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-cyclopropyl-N-(4-ethoxyphenyl)-5-methylpyrimidin-4-amine is CCOc1ccc(Nc2nc(C3CC3)nc(Cl)c2C)cc1.
What is the InChIKey of 6-chloro-2-cyclopropyl-N-(4-ethoxyphenyl)-5-methylpyrimidin-4-amine?
The InChIKey is MATQGJUOHWNKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-3-21-13-8-6-12(7-9-13)18-15-10(2)14(17)19-16(20-15)11-4-5-11/h6-9,11H,3-5H2,1-2H3,(H,18,19,20).
What are the key properties of 6-chloro-2-cyclopropyl-N-(4-ethoxyphenyl)-5-methylpyrimidin-4-amine?
6-chloro-2-cyclopropyl-N-(4-ethoxyphenyl)-5-methylpyrimidin-4-amine has a molecular weight of 303.79 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-cyclopropyl-N-(4-ethoxyphenyl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80974062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).