5-bromo-2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-propylpyrimidin-4-amine

C15H17Br2N3S — CID 102844082

IUPAC5-bromo-2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cc(Br)c(C)s2)nc(C2CC2)c1Br
InChIInChI=1S/C15H17Br2N3S/c1-3-6-18-15-12(17)13(9-4-5-9)19-14(20-15)11-7-10(16)8(2)21-11/h7,9H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyIXAQDRXKRORZJY-UHFFFAOYSA-N
MW431.20 g/mol
LogP5.74
Rot. Bonds5

About 5-bromo-2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-propylpyrimidin-4-amine

5-bromo-2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-propylpyrimidin-4-amine (PubChem CID 102844082) has the molecular formula C15H17Br2N3S and a molecular weight of 431.20 g/mol. Its IUPAC name is 5-bromo-2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-propylpyrimidin-4-amine
PubChem CID102844082
Molecular FormulaC15H17Br2N3S
Molecular Weight431.20 g/mol
Exact Mass428.95
IUPAC Name5-bromo-2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cc(Br)c(C)s2)nc(C2CC2)c1Br
InChIInChI=1S/C15H17Br2N3S/c1-3-6-18-15-12(17)13(9-4-5-9)19-14(20-15)11-7-10(16)8(2)21-11/h7,9H,3-6H2,1-2H3,(H,18,19,20)
InChIKeyIXAQDRXKRORZJY-UHFFFAOYSA-N
XLogP5.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.20
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromo-5-chlorothiophen-2-yl)-6-cyclopropyl-5-iodo-N-propylpyrimidin-4-amine
CID 102844092
5-bromo-6-cyclopropyl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 66303575
2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
CID 102843899
5-bromo-2-(3-bromo-4-methylphenyl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
CID 105410496
5-bromo-6-cyclopropyl-2-(methylsulfanylmethyl)-N-propylpyrimidin-4-amine
CID 66302144
5-bromo-6-cyclopropyl-2-(2,6-dimethyl-4-pyridinyl)-N-ethylpyrimidin-4-amine
CID 107504375
5-bromo-6-cyclopropyl-2-(2-methylcyclopropyl)-N-propylpyrimidin-4-amine
CID 66304188
2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopentyl-N-ethylpyrimidin-4-amine
CID 102844138
5-bromo-2-(4,5-dibromothiophen-2-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 102844042
5-bromo-6-cyclopropyl-2-(propoxymethyl)-N-propylpyrimidin-4-amine
CID 66304186
2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
CID 102843919
5-bromo-6-cyclopropyl-N-ethyl-2-(3-fluoro-4-methylphenyl)pyrimidin-4-amine
CID 66302548

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-propylpyrimidin-4-amine (CID 102844082) is 5-bromo-2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-propylpyrimidin-4-amine is CCCNc1nc(-c2cc(Br)c(C)s2)nc(C2CC2)c1Br.
What is the InChIKey of 5-bromo-2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-propylpyrimidin-4-amine?
The InChIKey is IXAQDRXKRORZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Br2N3S/c1-3-6-18-15-12(17)13(9-4-5-9)19-14(20-15)11-7-10(16)8(2)21-11/h7,9H,3-6H2,1-2H3,(H,18,19,20).
What are the key properties of 5-bromo-2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-propylpyrimidin-4-amine?
5-bromo-2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-propylpyrimidin-4-amine has a molecular weight of 431.20 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 102844082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).