2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine

C12H12BrN3S — CID 63354503

IUPAC2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(C2CC2)nc(-c2ccc(Br)s2)n1
InChIInChI=1S/C12H12BrN3S/c1-14-11-6-8(7-2-3-7)15-12(16-11)9-4-5-10(13)17-9/h4-7H,2-3H2,1H3,(H,14,15,16)
InChIKeyXFXWXHWAXSYMGC-UHFFFAOYSA-N
MW310.22 g/mol
LogP3.89
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine

2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine (PubChem CID 63354503) has the molecular formula C12H12BrN3S and a molecular weight of 310.22 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
PubChem CID63354503
Molecular FormulaC12H12BrN3S
Molecular Weight310.22 g/mol
Exact Mass308.99
IUPAC Name2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(C2CC2)nc(-c2ccc(Br)s2)n1
InChIInChI=1S/C12H12BrN3S/c1-14-11-6-8(7-2-3-7)15-12(16-11)9-4-5-10(13)17-9/h4-7H,2-3H2,1H3,(H,14,15,16)
InChIKeyXFXWXHWAXSYMGC-UHFFFAOYSA-N
XLogP3.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclopropyl-N-methyl-2-phenylpyrimidin-4-amine
CID 63353488
2-(3-bromofuran-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 106889224
4-[4-cyclopropyl-6-(methylamino)pyrimidin-2-yl]phenol
CID 135975477
[6-cyclopropyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-yl]hydrazine
CID 63354738
6-cyclopropyl-N-methyl-2-(6-methyl-2-pyridinyl)pyrimidin-4-amine
CID 55221139
6-cyclopropyl-2-[4-(dimethylamino)phenyl]-N-methylpyrimidin-4-amine
CID 63354641
6-cyclopropyl-2-(3,4-dimethoxyphenyl)-N-methylpyrimidin-4-amine
CID 63353878
2-(2-bromo-5-fluorophenyl)-6-cyclopentyl-N-methylpyrimidin-4-amine
CID 107924049
2-(4-bromo-5-methylthiophen-2-yl)-6-cyclopropyl-N-ethylpyrimidin-4-amine
CID 102843899
2-(3-chloro-4-fluorophenyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 63354301
2-(1-adamantyl)-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 63486827
2-tert-butyl-6-cyclopropyl-N-methylpyrimidin-4-amine
CID 63353528

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine (CID 63354503) is 2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine is CNc1cc(C2CC2)nc(-c2ccc(Br)s2)n1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
The InChIKey is XFXWXHWAXSYMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3S/c1-14-11-6-8(7-2-3-7)15-12(16-11)9-4-5-10(13)17-9/h4-7H,2-3H2,1H3,(H,14,15,16).
What are the key properties of 2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine?
2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine has a molecular weight of 310.22 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-6-cyclopropyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 63354503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).