4-(4-bromothiophen-3-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine

C12H10BrClN2S — CID 80975037

IUPAC4-(4-bromothiophen-3-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1-c1cscc1Br
InChIInChI=1S/C12H10BrClN2S/c1-6-10(8-4-17-5-9(8)13)15-12(7-2-3-7)16-11(6)14/h4-5,7H,2-3H2,1H3
InChIKeyPGNYMQVCIVBECC-UHFFFAOYSA-N
MW329.65 g/mol
LogP4.81
Rot. Bonds2

About 4-(4-bromothiophen-3-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine

4-(4-bromothiophen-3-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine (PubChem CID 80975037) has the molecular formula C12H10BrClN2S and a molecular weight of 329.65 g/mol. Its IUPAC name is 4-(4-bromothiophen-3-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine.

Molecular Properties

Compound Name4-(4-bromothiophen-3-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine
PubChem CID80975037
Molecular FormulaC12H10BrClN2S
Molecular Weight329.65 g/mol
Exact Mass327.94
IUPAC Name4-(4-bromothiophen-3-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine
SMILESCc1c(Cl)nc(C2CC2)nc1-c1cscc1Br
InChIInChI=1S/C12H10BrClN2S/c1-6-10(8-4-17-5-9(8)13)15-12(7-2-3-7)16-11(6)14/h4-5,7H,2-3H2,1H3
InChIKeyPGNYMQVCIVBECC-UHFFFAOYSA-N
XLogP4.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.65
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromothiophen-3-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine?
The IUPAC name of 4-(4-bromothiophen-3-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine (CID 80975037) is 4-(4-bromothiophen-3-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine.
What is the SMILES notation for 4-(4-bromothiophen-3-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine?
The canonical SMILES for 4-(4-bromothiophen-3-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine is Cc1c(Cl)nc(C2CC2)nc1-c1cscc1Br.
What is the InChIKey of 4-(4-bromothiophen-3-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine?
The InChIKey is PGNYMQVCIVBECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrClN2S/c1-6-10(8-4-17-5-9(8)13)15-12(7-2-3-7)16-11(6)14/h4-5,7H,2-3H2,1H3.
What are the key properties of 4-(4-bromothiophen-3-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine?
4-(4-bromothiophen-3-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine has a molecular weight of 329.65 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromothiophen-3-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine is sourced from PubChem (CID 80975037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).