6-(3-bromophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine

C15H16BrN3S — CID 80963648

IUPAC6-(3-bromophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Sc2cccc(Br)c2)nc(C2CC2)n1
InChIInChI=1S/C15H16BrN3S/c1-2-17-13-9-14(19-15(18-13)10-6-7-10)20-12-5-3-4-11(16)8-12/h3-5,8-10H,2,6-7H2,1H3,(H,17,18,19)
InChIKeyOXALZKKCSBFTTC-UHFFFAOYSA-N
MW350.29 g/mol
LogP4.70
Rot. Bonds5

About 6-(3-bromophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine

6-(3-bromophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine (PubChem CID 80963648) has the molecular formula C15H16BrN3S and a molecular weight of 350.29 g/mol. Its IUPAC name is 6-(3-bromophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-bromophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine
PubChem CID80963648
Molecular FormulaC15H16BrN3S
Molecular Weight350.29 g/mol
Exact Mass349.02
IUPAC Name6-(3-bromophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(Sc2cccc(Br)c2)nc(C2CC2)n1
InChIInChI=1S/C15H16BrN3S/c1-2-17-13-9-14(19-15(18-13)10-6-7-10)20-12-5-3-4-11(16)8-12/h3-5,8-10H,2,6-7H2,1H3,(H,17,18,19)
InChIKeyOXALZKKCSBFTTC-UHFFFAOYSA-N
XLogP4.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromophenyl)sulfanyl-N-ethyl-2-methylpyrimidin-4-amine
CID 80889647
2-cyclopropyl-6-(3,4-difluorophenyl)sulfanyl-N-ethylpyrimidin-4-amine
CID 80962814
6-(2-chlorophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80962940
6-(3-bromophenoxy)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965597
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80964942
2-cyclopropyl-N-ethyl-6-(1H-imidazol-2-ylsulfanyl)pyrimidin-4-amine
CID 107785001
4-N-(5-bromo-2-fluorophenyl)-2-cyclopropyl-6-N-ethylpyrimidine-4,6-diamine
CID 80960649
2-cyclopropyl-N-ethyl-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]pyrimidin-4-amine
CID 80964140
6-[(3-chloro-2-pyridinyl)sulfanyl]-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80964386
2-cyclopropyl-N-ethyl-6-(5-methylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80963439
2-cyclopropyl-N-ethyl-6-pyrazin-2-ylsulfanylpyrimidin-4-amine
CID 80962873
6-(4-bromophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80952338

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The IUPAC name of 6-(3-bromophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine (CID 80963648) is 6-(3-bromophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-bromophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The canonical SMILES for 6-(3-bromophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine is CCNc1cc(Sc2cccc(Br)c2)nc(C2CC2)n1.
What is the InChIKey of 6-(3-bromophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine?
The InChIKey is OXALZKKCSBFTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3S/c1-2-17-13-9-14(19-15(18-13)10-6-7-10)20-12-5-3-4-11(16)8-12/h3-5,8-10H,2,6-7H2,1H3,(H,17,18,19).
What are the key properties of 6-(3-bromophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine?
6-(3-bromophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine has a molecular weight of 350.29 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)sulfanyl-2-cyclopropyl-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80963648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).