5-bromo-2-(5-chlorothiophen-2-yl)-N-propylpyrimidin-4-amine

C11H11BrClN3S — CID 66297613

IUPAC5-bromo-2-(5-chlorothiophen-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(Cl)s2)ncc1Br
InChIInChI=1S/C11H11BrClN3S/c1-2-5-14-10-7(12)6-15-11(16-10)8-3-4-9(13)17-8/h3-4,6H,2,5H2,1H3,(H,14,15,16)
InChIKeyBNLMXFWLYUAFOT-UHFFFAOYSA-N
MW332.65 g/mol
LogP4.44
Rot. Bonds4

About 5-bromo-2-(5-chlorothiophen-2-yl)-N-propylpyrimidin-4-amine

5-bromo-2-(5-chlorothiophen-2-yl)-N-propylpyrimidin-4-amine (PubChem CID 66297613) has the molecular formula C11H11BrClN3S and a molecular weight of 332.65 g/mol. Its IUPAC name is 5-bromo-2-(5-chlorothiophen-2-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(5-chlorothiophen-2-yl)-N-propylpyrimidin-4-amine
PubChem CID66297613
Molecular FormulaC11H11BrClN3S
Molecular Weight332.65 g/mol
Exact Mass330.95
IUPAC Name5-bromo-2-(5-chlorothiophen-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(Cl)s2)ncc1Br
InChIInChI=1S/C11H11BrClN3S/c1-2-5-14-10-7(12)6-15-11(16-10)8-3-4-9(13)17-8/h3-4,6H,2,5H2,1H3,(H,14,15,16)
InChIKeyBNLMXFWLYUAFOT-UHFFFAOYSA-N
XLogP4.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.65
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(5-chlorothiophen-2-yl)-N-ethylpyrimidin-4-amine
CID 66295486
5-bromo-2-chloro-N-propylpyrimidin-4-amine
CID 53485997
5-bromo-2-(1-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine
CID 66301653
5-bromo-2-(2-methylpyrazol-3-yl)-N-propylpyrimidin-4-amine
CID 114554374
5-bromo-2-[4-(difluoromethyl)phenyl]-N-propylpyrimidin-4-amine
CID 115525347
5-bromo-N-methyl-2-(5-methylthiophen-2-yl)pyrimidin-4-amine
CID 66295477
5-bromo-2-(3-fluoro-4-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 66295682
5-bromo-2-(2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
CID 66301652
5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80799004
6-(5-chlorothiophen-2-yl)-2-ethyl-N-propylpyrimidin-4-amine
CID 80933820
5-bromo-4-N-[(5-bromothiophen-2-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80837168
2-(4-chlorothiophen-2-yl)-5-iodo-N-propylpyrimidin-4-amine
CID 79426456

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-chlorothiophen-2-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(5-chlorothiophen-2-yl)-N-propylpyrimidin-4-amine (CID 66297613) is 5-bromo-2-(5-chlorothiophen-2-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(5-chlorothiophen-2-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(5-chlorothiophen-2-yl)-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccc(Cl)s2)ncc1Br.
What is the InChIKey of 5-bromo-2-(5-chlorothiophen-2-yl)-N-propylpyrimidin-4-amine?
The InChIKey is BNLMXFWLYUAFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN3S/c1-2-5-14-10-7(12)6-15-11(16-10)8-3-4-9(13)17-8/h3-4,6H,2,5H2,1H3,(H,14,15,16).
What are the key properties of 5-bromo-2-(5-chlorothiophen-2-yl)-N-propylpyrimidin-4-amine?
5-bromo-2-(5-chlorothiophen-2-yl)-N-propylpyrimidin-4-amine has a molecular weight of 332.65 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-chlorothiophen-2-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66297613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).