4-(4-bromothiophen-2-yl)-6-(4-chloro-3-methylphenyl)pyrimidin-2-amine

C15H11BrClN3S — CID 2799582

IUPAC4-(4-bromothiophen-2-yl)-6-(4-chloro-3-methylphenyl)pyrimidin-2-amine
SMILESCc1cc(-c2cc(-c3cc(Br)cs3)nc(N)n2)ccc1Cl
InChIInChI=1S/C15H11BrClN3S/c1-8-4-9(2-3-11(8)17)12-6-13(20-15(18)19-12)14-5-10(16)7-21-14/h2-7H,1H3,(H2,18,19,20)
InChIKeyZIRYNWVPBKLZFD-UHFFFAOYSA-N
MW380.70 g/mol
LogP5.18
Rot. Bonds2

About 4-(4-bromothiophen-2-yl)-6-(4-chloro-3-methylphenyl)pyrimidin-2-amine

4-(4-bromothiophen-2-yl)-6-(4-chloro-3-methylphenyl)pyrimidin-2-amine (PubChem CID 2799582) has the molecular formula C15H11BrClN3S and a molecular weight of 380.70 g/mol. Its IUPAC name is 4-(4-bromothiophen-2-yl)-6-(4-chloro-3-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-bromothiophen-2-yl)-6-(4-chloro-3-methylphenyl)pyrimidin-2-amine
PubChem CID2799582
Molecular FormulaC15H11BrClN3S
Molecular Weight380.70 g/mol
Exact Mass378.95
IUPAC Name4-(4-bromothiophen-2-yl)-6-(4-chloro-3-methylphenyl)pyrimidin-2-amine
SMILESCc1cc(-c2cc(-c3cc(Br)cs3)nc(N)n2)ccc1Cl
InChIInChI=1S/C15H11BrClN3S/c1-8-4-9(2-3-11(8)17)12-6-13(20-15(18)19-12)14-5-10(16)7-21-14/h2-7H,1H3,(H2,18,19,20)
InChIKeyZIRYNWVPBKLZFD-UHFFFAOYSA-N
XLogP5.18
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.70
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromothiophen-2-yl)-6-(4-chloro-3-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(4-bromothiophen-2-yl)-6-(4-chloro-3-methylphenyl)pyrimidin-2-amine (CID 2799582) is 4-(4-bromothiophen-2-yl)-6-(4-chloro-3-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-bromothiophen-2-yl)-6-(4-chloro-3-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-bromothiophen-2-yl)-6-(4-chloro-3-methylphenyl)pyrimidin-2-amine is Cc1cc(-c2cc(-c3cc(Br)cs3)nc(N)n2)ccc1Cl.
What is the InChIKey of 4-(4-bromothiophen-2-yl)-6-(4-chloro-3-methylphenyl)pyrimidin-2-amine?
The InChIKey is ZIRYNWVPBKLZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClN3S/c1-8-4-9(2-3-11(8)17)12-6-13(20-15(18)19-12)14-5-10(16)7-21-14/h2-7H,1H3,(H2,18,19,20).
What are the key properties of 4-(4-bromothiophen-2-yl)-6-(4-chloro-3-methylphenyl)pyrimidin-2-amine?
4-(4-bromothiophen-2-yl)-6-(4-chloro-3-methylphenyl)pyrimidin-2-amine has a molecular weight of 380.70 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromothiophen-2-yl)-6-(4-chloro-3-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 2799582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).