2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine

C15H20BrN3S — CID 115381242

IUPAC2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(CC(C)C)nc(-c2sccc2Br)n1
InChIInChI=1S/C15H20BrN3S/c1-4-6-17-13-9-11(8-10(2)3)18-15(19-13)14-12(16)5-7-20-14/h5,7,9-10H,4,6,8H2,1-3H3,(H,17,18,19)
InChIKeyPQJWLELMUAKNFY-UHFFFAOYSA-N
MW354.32 g/mol
LogP4.99
Rot. Bonds6

About 2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine

2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine (PubChem CID 115381242) has the molecular formula C15H20BrN3S and a molecular weight of 354.32 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
PubChem CID115381242
Molecular FormulaC15H20BrN3S
Molecular Weight354.32 g/mol
Exact Mass353.06
IUPAC Name2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(CC(C)C)nc(-c2sccc2Br)n1
InChIInChI=1S/C15H20BrN3S/c1-4-6-17-13-9-11(8-10(2)3)18-15(19-13)14-12(16)5-7-20-14/h5,7,9-10H,4,6,8H2,1-3H3,(H,17,18,19)
InChIKeyPQJWLELMUAKNFY-UHFFFAOYSA-N
XLogP4.99
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromothiophen-2-yl)-6-tert-butyl-N-propylpyrimidin-4-amine
CID 115381139
5-bromo-2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 115381241
2-(3-bromofuran-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 106889292
2-(4-bromo-5-chlorothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 102844107
2-(5-chloro-1,3-thiazol-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 107125389
2-(3-bromothiophen-2-yl)-4-chloro-6-ethylpyrimidine
CID 115380801
5-bromo-2-(3-bromothiophen-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 115381195
2-(3-bromo-4-fluorophenyl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 82787744
2-(2-bromo-5-chlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine
CID 66158760
2-(3-bromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 115381240
2-(2-ethoxyethyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 106815334
2-(3-bromothiophen-2-yl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
CID 113298184

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine (CID 115381242) is 2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine is CCCNc1cc(CC(C)C)nc(-c2sccc2Br)n1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
The InChIKey is PQJWLELMUAKNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3S/c1-4-6-17-13-9-11(8-10(2)3)18-15(19-13)14-12(16)5-7-20-14/h5,7,9-10H,4,6,8H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine has a molecular weight of 354.32 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 115381242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).