5-bromo-2-chloro-N-(4-propylphenyl)pyrimidin-4-amine

C13H13BrClN3 — CID 79076273

IUPAC5-bromo-2-chloro-N-(4-propylphenyl)pyrimidin-4-amine
SMILESCCCc1ccc(Nc2nc(Cl)ncc2Br)cc1
InChIInChI=1S/C13H13BrClN3/c1-2-3-9-4-6-10(7-5-9)17-12-11(14)8-16-13(15)18-12/h4-8H,2-3H2,1H3,(H,16,17,18)
InChIKeyPUAKFJXMPGVRQM-UHFFFAOYSA-N
MW326.63 g/mol
LogP4.59
Rot. Bonds4

About 5-bromo-2-chloro-N-(4-propylphenyl)pyrimidin-4-amine

5-bromo-2-chloro-N-(4-propylphenyl)pyrimidin-4-amine (PubChem CID 79076273) has the molecular formula C13H13BrClN3 and a molecular weight of 326.63 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-(4-propylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-chloro-N-(4-propylphenyl)pyrimidin-4-amine
PubChem CID79076273
Molecular FormulaC13H13BrClN3
Molecular Weight326.63 g/mol
Exact Mass325.00
IUPAC Name5-bromo-2-chloro-N-(4-propylphenyl)pyrimidin-4-amine
SMILESCCCc1ccc(Nc2nc(Cl)ncc2Br)cc1
InChIInChI=1S/C13H13BrClN3/c1-2-3-9-4-6-10(7-5-9)17-12-11(14)8-16-13(15)18-12/h4-8H,2-3H2,1H3,(H,16,17,18)
InChIKeyPUAKFJXMPGVRQM-UHFFFAOYSA-N
XLogP4.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.63
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-N-methyl-4-N-(4-propylphenyl)pyrimidine-2,4-diamine
CID 80780077
3,6-dichloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine
CID 81035328
5-bromo-2-chloro-N-(3,4-dichlorophenyl)pyrimidin-4-amine
CID 79076161
2-chloro-N-(4-propylphenyl)-7H-purin-6-amine
CID 104787158
5-bromo-2-chloro-N-(3,4-difluorophenyl)pyrimidin-4-amine
CID 79076259
5-bromo-2-chloro-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 79075532
2-chloro-N-(4-propylphenyl)quinazolin-4-amine
CID 63548383
5-bromo-2-chloro-N-propylpyrimidin-4-amine
CID 53485997
4-[2-[(5-bromo-2-chloropyrimidin-4-yl)amino]ethyl]phenol
CID 79076702
5-bromo-2-chloro-N-(3,5-difluorophenyl)pyrimidin-4-amine
CID 79076577
3-chloro-N-(4-propylphenyl)-1,2,4-triazin-5-amine
CID 55053308
5-bromo-2-chloro-N-(3,5-dimethoxyphenyl)pyrimidin-4-amine
CID 79075751

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-(4-propylphenyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-chloro-N-(4-propylphenyl)pyrimidin-4-amine (CID 79076273) is 5-bromo-2-chloro-N-(4-propylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-chloro-N-(4-propylphenyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-chloro-N-(4-propylphenyl)pyrimidin-4-amine is CCCc1ccc(Nc2nc(Cl)ncc2Br)cc1.
What is the InChIKey of 5-bromo-2-chloro-N-(4-propylphenyl)pyrimidin-4-amine?
The InChIKey is PUAKFJXMPGVRQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrClN3/c1-2-3-9-4-6-10(7-5-9)17-12-11(14)8-16-13(15)18-12/h4-8H,2-3H2,1H3,(H,16,17,18).
What are the key properties of 5-bromo-2-chloro-N-(4-propylphenyl)pyrimidin-4-amine?
5-bromo-2-chloro-N-(4-propylphenyl)pyrimidin-4-amine has a molecular weight of 326.63 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-(4-propylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 79076273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).