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

C15H20BrN3S — CID 115381139

IUPAC2-(3-bromothiophen-2-yl)-6-tert-butyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)(C)C)nc(-c2sccc2Br)n1
InChIInChI=1S/C15H20BrN3S/c1-5-7-17-12-9-11(15(2,3)4)18-14(19-12)13-10(16)6-8-20-13/h6,8-9H,5,7H2,1-4H3,(H,17,18,19)
InChIKeyUFDNJTZNMJGEGF-UHFFFAOYSA-N
MW354.32 g/mol
LogP5.09
Rot. Bonds4

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

2-(3-bromothiophen-2-yl)-6-tert-butyl-N-propylpyrimidin-4-amine (PubChem CID 115381139) has the molecular formula C15H20BrN3S and a molecular weight of 354.32 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-6-tert-butyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-6-tert-butyl-N-propylpyrimidin-4-amine
PubChem CID115381139
Molecular FormulaC15H20BrN3S
Molecular Weight354.32 g/mol
Exact Mass353.06
IUPAC Name2-(3-bromothiophen-2-yl)-6-tert-butyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C(C)(C)C)nc(-c2sccc2Br)n1
InChIInChI=1S/C15H20BrN3S/c1-5-7-17-12-9-11(15(2,3)4)18-14(19-12)13-10(16)6-8-20-13/h6,8-9H,5,7H2,1-4H3,(H,17,18,19)
InChIKeyUFDNJTZNMJGEGF-UHFFFAOYSA-N
XLogP5.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.32
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 115381242
5-bromo-2-(3-bromothiophen-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 115381195
5-bromo-2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 115381241
6-tert-butyl-N-propyl-2-pyrazin-2-ylpyrimidin-4-amine
CID 62191984
2-(3-bromothiophen-2-yl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 115381221
6-(3-bromothiophen-2-yl)-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769719
6-tert-butyl-2-(2-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
CID 79197478
6-tert-butyl-2-(1-methoxyethyl)-N-propylpyrimidin-4-amine
CID 79616490
6-tert-butyl-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine
CID 116633181
6-tert-butyl-2-[(dimethylamino)methyl]-N-propylpyrimidin-4-amine
CID 79089262
2-(3-bromo-4-methylphenyl)-6-tert-butyl-N-methylpyrimidin-4-amine
CID 105410378
6-(3-chlorothiophen-2-yl)-2-methyl-N-propylpyrimidin-4-amine
CID 107361034

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-6-tert-butyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-6-tert-butyl-N-propylpyrimidin-4-amine (CID 115381139) is 2-(3-bromothiophen-2-yl)-6-tert-butyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-6-tert-butyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-6-tert-butyl-N-propylpyrimidin-4-amine is CCCNc1cc(C(C)(C)C)nc(-c2sccc2Br)n1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-6-tert-butyl-N-propylpyrimidin-4-amine?
The InChIKey is UFDNJTZNMJGEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3S/c1-5-7-17-12-9-11(15(2,3)4)18-14(19-12)13-10(16)6-8-20-13/h6,8-9H,5,7H2,1-4H3,(H,17,18,19).
What are the key properties of 2-(3-bromothiophen-2-yl)-6-tert-butyl-N-propylpyrimidin-4-amine?
2-(3-bromothiophen-2-yl)-6-tert-butyl-N-propylpyrimidin-4-amine has a molecular weight of 354.32 g/mol, XLogP of 5.09, 4 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-tert-butyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 115381139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).