5-bromo-2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine

C15H16BrN3 — CID 79980210

IUPAC5-bromo-2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(C3CC3)cc2)ncc1Br
InChIInChI=1S/C15H16BrN3/c1-2-17-15-13(16)9-18-14(19-15)12-7-5-11(6-8-12)10-3-4-10/h5-10H,2-4H2,1H3,(H,17,18,19)
InChIKeyPTZTZUXDESJTBF-UHFFFAOYSA-N
MW318.22 g/mol
LogP4.22
Rot. Bonds4

About 5-bromo-2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine

5-bromo-2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine (PubChem CID 79980210) has the molecular formula C15H16BrN3 and a molecular weight of 318.22 g/mol. Its IUPAC name is 5-bromo-2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine
PubChem CID79980210
Molecular FormulaC15H16BrN3
Molecular Weight318.22 g/mol
Exact Mass317.05
IUPAC Name5-bromo-2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(C3CC3)cc2)ncc1Br
InChIInChI=1S/C15H16BrN3/c1-2-17-15-13(16)9-18-14(19-15)12-7-5-11(6-8-12)10-3-4-10/h5-10H,2-4H2,1H3,(H,17,18,19)
InChIKeyPTZTZUXDESJTBF-UHFFFAOYSA-N
XLogP4.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-cyclopropylphenyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 79980765
5-bromo-N-ethyl-2-(4-ethylphenyl)pyrimidin-4-amine
CID 66301850
5-bromo-2-(4-ethoxyphenyl)-N-ethylpyrimidin-4-amine
CID 66296065
2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine
CID 79980530
2-(4-cyclopropylphenyl)-5-iodo-N-propylpyrimidin-4-amine
CID 79980922
5-bromo-2-(5-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine
CID 66295486
5-bromo-2-(4-cyclopropylphenyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 79980128
5-bromo-N-ethyl-2-(5-fluoro-2-pyridinyl)pyrimidin-4-amine
CID 79717868
5-bromo-2-[4-(difluoromethyl)phenyl]-N-propylpyrimidin-4-amine
CID 115525347
5-bromo-2-(2,3-dimethylphenyl)-N-ethylpyrimidin-4-amine
CID 66295874
5-bromo-2-(3-cyclopropylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 79980369
5-bromo-N-ethyl-2-(6-methoxypyridazin-3-yl)pyrimidin-4-amine
CID 103375046

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine (CID 79980210) is 5-bromo-2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine is CCNc1nc(-c2ccc(C3CC3)cc2)ncc1Br.
What is the InChIKey of 5-bromo-2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine?
The InChIKey is PTZTZUXDESJTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3/c1-2-17-15-13(16)9-18-14(19-15)12-7-5-11(6-8-12)10-3-4-10/h5-10H,2-4H2,1H3,(H,17,18,19).
What are the key properties of 5-bromo-2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine?
5-bromo-2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine has a molecular weight of 318.22 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-cyclopropylphenyl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 79980210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).