6-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine

C14H16BrN3S — CID 80976410

IUPAC6-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(C2CC2)nc(-c2cscc2Br)c1C
InChIInChI=1S/C14H16BrN3S/c1-3-16-13-8(2)12(10-6-19-7-11(10)15)17-14(18-13)9-4-5-9/h6-7,9H,3-5H2,1-2H3,(H,16,17,18)
InChIKeyGWRQYLGLBZDZAG-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.59
Rot. Bonds4

About 6-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine

6-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80976410) has the molecular formula C14H16BrN3S and a molecular weight of 338.27 g/mol. Its IUPAC name is 6-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
PubChem CID80976410
Molecular FormulaC14H16BrN3S
Molecular Weight338.27 g/mol
Exact Mass337.02
IUPAC Name6-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(C2CC2)nc(-c2cscc2Br)c1C
InChIInChI=1S/C14H16BrN3S/c1-3-16-13-8(2)12(10-6-19-7-11(10)15)17-14(18-13)9-4-5-9/h6-7,9H,3-5H2,1-2H3,(H,16,17,18)
InChIKeyGWRQYLGLBZDZAG-UHFFFAOYSA-N
XLogP4.59
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromothiophen-3-yl)-6-chloro-2-cyclopropyl-5-methylpyrimidine
CID 80975037
2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylphenyl)pyrimidin-4-amine
CID 80975895
6-(4-bromothiophen-3-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 79602515
2-cyclopropyl-N-ethyl-5-methyl-6-(3-methyl-4-pyridinyl)pyrimidin-4-amine
CID 80976322
6-(4-bromothiophen-3-yl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80976660
2-cyclopropyl-N-ethyl-5-methyl-6-(2-methylpyrazol-3-yl)pyrimidin-4-amine
CID 80976475
2-cyclopropyl-6-N-ethyl-5-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 80976188
2-cyclopropyl-N-ethyl-5-methyl-6-(1-propylimidazol-2-yl)pyrimidin-4-amine
CID 80974848
4-N-butyl-2-cyclopropyl-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80981195
6-[(5-bromo-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80995476
2-cyclopropyl-6-N-ethyl-4-N-hexyl-5-methylpyrimidine-4,6-diamine
CID 80985625
2-cyclopropyl-4-N-(2,3-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80985256

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine (CID 80976410) is 6-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine is CCNc1nc(C2CC2)nc(-c2cscc2Br)c1C.
What is the InChIKey of 6-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is GWRQYLGLBZDZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3S/c1-3-16-13-8(2)12(10-6-19-7-11(10)15)17-14(18-13)9-4-5-9/h6-7,9H,3-5H2,1-2H3,(H,16,17,18).
What are the key properties of 6-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine?
6-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 338.27 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80976410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).