6-cyclopropyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine

C17H21N3 — CID 63354580

IUPAC6-cyclopropyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C2CC2)nc(-c2ccccc2C)n1
InChIInChI=1S/C17H21N3/c1-3-10-18-16-11-15(13-8-9-13)19-17(20-16)14-7-5-4-6-12(14)2/h4-7,11,13H,3,8-10H2,1-2H3,(H,18,19,20)
InChIKeyCPELDNWPBVZHAV-UHFFFAOYSA-N
MW267.38 g/mol
LogP4.15
Rot. Bonds5

About 6-cyclopropyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine

6-cyclopropyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine (PubChem CID 63354580) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 6-cyclopropyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
PubChem CID63354580
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name6-cyclopropyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C2CC2)nc(-c2ccccc2C)n1
InChIInChI=1S/C17H21N3/c1-3-10-18-16-11-15(13-8-9-13)19-17(20-16)14-7-5-4-6-12(14)2/h4-7,11,13H,3,8-10H2,1-2H3,(H,18,19,20)
InChIKeyCPELDNWPBVZHAV-UHFFFAOYSA-N
XLogP4.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.15
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-methylphenyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine (CID 63354580) is 6-cyclopropyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine is CCCNc1cc(C2CC2)nc(-c2ccccc2C)n1.
What is the InChIKey of 6-cyclopropyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine?
The InChIKey is CPELDNWPBVZHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-3-10-18-16-11-15(13-8-9-13)19-17(20-16)14-7-5-4-6-12(14)2/h4-7,11,13H,3,8-10H2,1-2H3,(H,18,19,20).
What are the key properties of 6-cyclopropyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine?
6-cyclopropyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine has a molecular weight of 267.38 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-(2-methylphenyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 63354580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).