5-(2-chloro-4-cyclopropyl-5-methylphenyl)-N-methylpyrimidin-2-amine

C15H16ClN3 — CID 155967237

IUPAC5-(2-chloro-4-cyclopropyl-5-methylphenyl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(-c2cc(C)c(C3CC3)cc2Cl)cn1
InChIInChI=1S/C15H16ClN3/c1-9-5-13(11-7-18-15(17-2)19-8-11)14(16)6-12(9)10-3-4-10/h5-8,10H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyLRUNKZYEXAFCFQ-UHFFFAOYSA-N
MW273.77 g/mol
LogP4.02
Rot. Bonds3

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

5-(2-chloro-4-cyclopropyl-5-methylphenyl)-N-methylpyrimidin-2-amine (PubChem CID 155967237) has the molecular formula C15H16ClN3 and a molecular weight of 273.77 g/mol. Its IUPAC name is 5-(2-chloro-4-cyclopropyl-5-methylphenyl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-(2-chloro-4-cyclopropyl-5-methylphenyl)-N-methylpyrimidin-2-amine
PubChem CID155967237
Molecular FormulaC15H16ClN3
Molecular Weight273.77 g/mol
Exact Mass273.10
IUPAC Name5-(2-chloro-4-cyclopropyl-5-methylphenyl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(-c2cc(C)c(C3CC3)cc2Cl)cn1
InChIInChI=1S/C15H16ClN3/c1-9-5-13(11-7-18-15(17-2)19-8-11)14(16)6-12(9)10-3-4-10/h5-8,10H,3-4H2,1-2H3,(H,17,18,19)
InChIKeyLRUNKZYEXAFCFQ-UHFFFAOYSA-N
XLogP4.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.77
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-cyclopropyl-5-methylphenyl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-(2-chloro-4-cyclopropyl-5-methylphenyl)-N-methylpyrimidin-2-amine (CID 155967237) is 5-(2-chloro-4-cyclopropyl-5-methylphenyl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-(2-chloro-4-cyclopropyl-5-methylphenyl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-(2-chloro-4-cyclopropyl-5-methylphenyl)-N-methylpyrimidin-2-amine is CNc1ncc(-c2cc(C)c(C3CC3)cc2Cl)cn1.
What is the InChIKey of 5-(2-chloro-4-cyclopropyl-5-methylphenyl)-N-methylpyrimidin-2-amine?
The InChIKey is LRUNKZYEXAFCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3/c1-9-5-13(11-7-18-15(17-2)19-8-11)14(16)6-12(9)10-3-4-10/h5-8,10H,3-4H2,1-2H3,(H,17,18,19).
What are the key properties of 5-(2-chloro-4-cyclopropyl-5-methylphenyl)-N-methylpyrimidin-2-amine?
5-(2-chloro-4-cyclopropyl-5-methylphenyl)-N-methylpyrimidin-2-amine has a molecular weight of 273.77 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-cyclopropyl-5-methylphenyl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 155967237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).