5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine

C16H22BrN3S — CID 66297751

IUPAC5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cc(C)sc2C)nc(C(C)C)c1Br
InChIInChI=1S/C16H22BrN3S/c1-6-7-18-16-13(17)14(9(2)3)19-15(20-16)12-8-10(4)21-11(12)5/h8-9H,6-7H2,1-5H3,(H,18,19,20)
InChIKeyMVWPAMDOOJMSPE-UHFFFAOYSA-N
MW368.34 g/mol
LogP5.53
Rot. Bonds5

About 5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine

5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 66297751) has the molecular formula C16H22BrN3S and a molecular weight of 368.34 g/mol. Its IUPAC name is 5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID66297751
Molecular FormulaC16H22BrN3S
Molecular Weight368.34 g/mol
Exact Mass367.07
IUPAC Name5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cc(C)sc2C)nc(C(C)C)c1Br
InChIInChI=1S/C16H22BrN3S/c1-6-7-18-16-13(17)14(9(2)3)19-15(20-16)12-8-10(4)21-11(12)5/h8-9H,6-7H2,1-5H3,(H,18,19,20)
InChIKeyMVWPAMDOOJMSPE-UHFFFAOYSA-N
XLogP5.53
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.34
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylthiophen-3-yl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 66000619
5-bromo-2-(5-ethylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66297560
5-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 79713731
5-bromo-2-(furan-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66298546
5-bromo-2-(methylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299727
2-(2,5-dimethylthiophen-3-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 62202584
5-bromo-2-(5-ethylfuran-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66297944
5-bromo-6-propan-2-yl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 66301103
5-bromo-2-butan-2-yl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299335
2-(2,5-dimethylthiophen-3-yl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 55045831
5-iodo-2-(5-methylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66296414
5-bromo-2-cyclopropyl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299922

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine (CID 66297751) is 5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1nc(-c2cc(C)sc2C)nc(C(C)C)c1Br.
What is the InChIKey of 5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is MVWPAMDOOJMSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3S/c1-6-7-18-16-13(17)14(9(2)3)19-15(20-16)12-8-10(4)21-11(12)5/h8-9H,6-7H2,1-5H3,(H,18,19,20).
What are the key properties of 5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 368.34 g/mol, XLogP of 5.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66297751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).