5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-propylpyrimidin-4-amine

C16H26BrN3S — CID 66307556

IUPAC5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(CSC2CCCCC2)nc(NCC)c1Br
InChIInChI=1S/C16H26BrN3S/c1-3-8-13-15(17)16(18-4-2)20-14(19-13)11-21-12-9-6-5-7-10-12/h12H,3-11H2,1-2H3,(H,18,19,20)
InChIKeyLBETYHHWQVFTPJ-UHFFFAOYSA-N
MW372.38 g/mol
LogP5.19
Rot. Bonds7

About 5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-propylpyrimidin-4-amine

5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-propylpyrimidin-4-amine (PubChem CID 66307556) has the molecular formula C16H26BrN3S and a molecular weight of 372.38 g/mol. Its IUPAC name is 5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-propylpyrimidin-4-amine
PubChem CID66307556
Molecular FormulaC16H26BrN3S
Molecular Weight372.38 g/mol
Exact Mass371.10
IUPAC Name5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(CSC2CCCCC2)nc(NCC)c1Br
InChIInChI=1S/C16H26BrN3S/c1-3-8-13-15(17)16(18-4-2)20-14(19-13)11-21-12-9-6-5-7-10-12/h12H,3-11H2,1-2H3,(H,18,19,20)
InChIKeyLBETYHHWQVFTPJ-UHFFFAOYSA-N
XLogP5.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.38
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-methylpyrimidin-4-amine
CID 66307473
5-bromo-2-(cyclohexylsulfanylmethyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66299440
2-(cyclohexylsulfanylmethyl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 65144312
5-bromo-N-ethyl-2-(2-methylpropylsulfanylmethyl)-6-propylpyrimidin-4-amine
CID 66305162
5-bromo-2-cyclooctyl-N-ethyl-6-propylpyrimidin-4-amine
CID 80610588
5-bromo-4-chloro-2-(cyclopentylsulfanylmethyl)-6-ethylpyrimidine
CID 66294627
2-(cyclopentylsulfanylmethyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66304146
2-(cyclopentylsulfanylmethyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 65140741
5-bromo-N,6-dipropyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 66305569
5-bromo-N,6-diethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
CID 66298665
4-(cyclopentylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine
CID 65140403
5-chloro-6-(cyclohexylsulfanylmethyl)-N-ethylpyridin-2-amine
CID 63487271

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-propylpyrimidin-4-amine (CID 66307556) is 5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-propylpyrimidin-4-amine is CCCc1nc(CSC2CCCCC2)nc(NCC)c1Br.
What is the InChIKey of 5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-propylpyrimidin-4-amine?
The InChIKey is LBETYHHWQVFTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrN3S/c1-3-8-13-15(17)16(18-4-2)20-14(19-13)11-21-12-9-6-5-7-10-12/h12H,3-11H2,1-2H3,(H,18,19,20).
What are the key properties of 5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-propylpyrimidin-4-amine?
5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-propylpyrimidin-4-amine has a molecular weight of 372.38 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66307556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).