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

C15H19Br2N3S — CID 115381241

IUPAC5-bromo-2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2sccc2Br)nc(CC(C)C)c1Br
InChIInChI=1S/C15H19Br2N3S/c1-4-6-18-14-12(17)11(8-9(2)3)19-15(20-14)13-10(16)5-7-21-13/h5,7,9H,4,6,8H2,1-3H3,(H,18,19,20)
InChIKeyVFCBBUKWPDNNTI-UHFFFAOYSA-N
MW433.21 g/mol
LogP5.75
Rot. Bonds6

About 5-bromo-2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine

5-bromo-2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine (PubChem CID 115381241) has the molecular formula C15H19Br2N3S and a molecular weight of 433.21 g/mol. Its IUPAC name is 5-bromo-2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
PubChem CID115381241
Molecular FormulaC15H19Br2N3S
Molecular Weight433.21 g/mol
Exact Mass430.97
IUPAC Name5-bromo-2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2sccc2Br)nc(CC(C)C)c1Br
InChIInChI=1S/C15H19Br2N3S/c1-4-6-18-14-12(17)11(8-9(2)3)19-15(20-14)13-10(16)5-7-21-13/h5,7,9H,4,6,8H2,1-3H3,(H,18,19,20)
InChIKeyVFCBBUKWPDNNTI-UHFFFAOYSA-N
XLogP5.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.21
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(3-bromothiophen-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 115381195
2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 115381242
2-(3-bromothiophen-2-yl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 115381221
2-(3-bromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 115381240
2-(3-bromothiophen-2-yl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
CID 113298184
2-(3-bromothiophen-2-yl)-6-tert-butyl-N-propylpyrimidin-4-amine
CID 115381139
5-bromo-2-(1-methoxypropan-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 116503066
5-bromo-2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 102844115
5-bromo-2-(1-methoxy-2-methylpropyl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 116730006
5-bromo-N,6-dipropyl-2-thiophen-3-ylpyrimidin-4-amine
CID 66306562
5-bromo-N-ethyl-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 104806898
5-bromo-2-[cyclopropyl(methoxy)methyl]-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 116730005

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine (CID 115381241) is 5-bromo-2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine is CCCNc1nc(-c2sccc2Br)nc(CC(C)C)c1Br.
What is the InChIKey of 5-bromo-2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
The InChIKey is VFCBBUKWPDNNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2N3S/c1-4-6-18-14-12(17)11(8-9(2)3)19-15(20-14)13-10(16)5-7-21-13/h5,7,9H,4,6,8H2,1-3H3,(H,18,19,20).
What are the key properties of 5-bromo-2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine?
5-bromo-2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine has a molecular weight of 433.21 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 115381241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).