5-bromo-6-cyclopropyl-N-ethyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine

C16H17BrFN3 — CID 66302548

IUPAC5-bromo-6-cyclopropyl-N-ethyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(C)c(F)c2)nc(C2CC2)c1Br
InChIInChI=1S/C16H17BrFN3/c1-3-19-16-13(17)14(10-6-7-10)20-15(21-16)11-5-4-9(2)12(18)8-11/h4-5,8,10H,3,6-7H2,1-2H3,(H,19,20,21)
InChIKeyQUOPAFICIKQQPR-UHFFFAOYSA-N
MW350.24 g/mol
LogP4.66
Rot. Bonds4

About 5-bromo-6-cyclopropyl-N-ethyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine

5-bromo-6-cyclopropyl-N-ethyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine (PubChem CID 66302548) has the molecular formula C16H17BrFN3 and a molecular weight of 350.24 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-N-ethyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-N-ethyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
PubChem CID66302548
Molecular FormulaC16H17BrFN3
Molecular Weight350.24 g/mol
Exact Mass349.06
IUPAC Name5-bromo-6-cyclopropyl-N-ethyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(C)c(F)c2)nc(C2CC2)c1Br
InChIInChI=1S/C16H17BrFN3/c1-3-19-16-13(17)14(10-6-7-10)20-15(21-16)11-5-4-9(2)12(18)8-11/h4-5,8,10H,3,6-7H2,1-2H3,(H,19,20,21)
InChIKeyQUOPAFICIKQQPR-UHFFFAOYSA-N
XLogP4.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(3-bromo-4-methylphenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
CID 105410496
5-bromo-6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-N-ethylpyrimidin-4-amine
CID 107504375
3-[5-bromo-4-cyclopropyl-6-(ethylamino)pyrimidin-2-yl]phenol
CID 66295900
5-bromo-6-cyclopropyl-2-(2,6-dichlorophenyl)-N-ethylpyrimidin-4-amine
CID 66295910
5-bromo-6-cyclopropyl-2-(4-fluorophenyl)-N-methylpyrimidin-4-amine
CID 66304168
5-bromo-2-(3-cyclopropylphenyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 79980369
5-bromo-2-(2-chlorophenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
CID 66303166
5-bromo-2-(4-chloro-3-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66297874
5-bromo-6-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-ethylpyrimidin-4-amine
CID 66295909
5-bromo-2-(4-bromo-3,5-dimethylphenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 114331016
5-bromo-6-cyclopropyl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 66303575
4-N-ethyl-6-(3-fluoro-4-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 115502738

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-N-ethyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-6-cyclopropyl-N-ethyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine (CID 66302548) is 5-bromo-6-cyclopropyl-N-ethyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-6-cyclopropyl-N-ethyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-6-cyclopropyl-N-ethyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine is CCNc1nc(-c2ccc(C)c(F)c2)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropyl-N-ethyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine?
The InChIKey is QUOPAFICIKQQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN3/c1-3-19-16-13(17)14(10-6-7-10)20-15(21-16)11-5-4-9(2)12(18)8-11/h4-5,8,10H,3,6-7H2,1-2H3,(H,19,20,21).
What are the key properties of 5-bromo-6-cyclopropyl-N-ethyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine?
5-bromo-6-cyclopropyl-N-ethyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine has a molecular weight of 350.24 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-N-ethyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 66302548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).