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

C17H21N3 — CID 63354598

IUPAC6-cyclopropyl-2-(2,4-dimethylphenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(C2CC2)nc(-c2ccc(C)cc2C)n1
InChIInChI=1S/C17H21N3/c1-4-18-16-10-15(13-6-7-13)19-17(20-16)14-8-5-11(2)9-12(14)3/h5,8-10,13H,4,6-7H2,1-3H3,(H,18,19,20)
InChIKeyBHCHQHCBCHVQLO-UHFFFAOYSA-N
MW267.38 g/mol
LogP4.07
Rot. Bonds4

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

6-cyclopropyl-2-(2,4-dimethylphenyl)-N-ethylpyrimidin-4-amine (PubChem CID 63354598) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 6-cyclopropyl-2-(2,4-dimethylphenyl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-(2,4-dimethylphenyl)-N-ethylpyrimidin-4-amine
PubChem CID63354598
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name6-cyclopropyl-2-(2,4-dimethylphenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(C2CC2)nc(-c2ccc(C)cc2C)n1
InChIInChI=1S/C17H21N3/c1-4-18-16-10-15(13-6-7-13)19-17(20-16)14-8-5-11(2)9-12(14)3/h5,8-10,13H,4,6-7H2,1-3H3,(H,18,19,20)
InChIKeyBHCHQHCBCHVQLO-UHFFFAOYSA-N
XLogP4.07
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.07
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-dimethylphenyl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-(2,4-dimethylphenyl)-N-ethylpyrimidin-4-amine (CID 63354598) is 6-cyclopropyl-2-(2,4-dimethylphenyl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-(2,4-dimethylphenyl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-(2,4-dimethylphenyl)-N-ethylpyrimidin-4-amine is CCNc1cc(C2CC2)nc(-c2ccc(C)cc2C)n1.
What is the InChIKey of 6-cyclopropyl-2-(2,4-dimethylphenyl)-N-ethylpyrimidin-4-amine?
The InChIKey is BHCHQHCBCHVQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-4-18-16-10-15(13-6-7-13)19-17(20-16)14-8-5-11(2)9-12(14)3/h5,8-10,13H,4,6-7H2,1-3H3,(H,18,19,20).
What are the key properties of 6-cyclopropyl-2-(2,4-dimethylphenyl)-N-ethylpyrimidin-4-amine?
6-cyclopropyl-2-(2,4-dimethylphenyl)-N-ethylpyrimidin-4-amine has a molecular weight of 267.38 g/mol, XLogP of 4.07, 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-dimethylphenyl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 63354598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).