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

C14H22BrN3S — CID 66307473

IUPAC5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1nc(CSC2CCCCC2)nc(C)c1Br
InChIInChI=1S/C14H22BrN3S/c1-3-16-14-13(15)10(2)17-12(18-14)9-19-11-7-5-4-6-8-11/h11H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyKLZBBSHPCOUMNZ-UHFFFAOYSA-N
MW344.32 g/mol
LogP4.55
Rot. Bonds5

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

5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-methylpyrimidin-4-amine (PubChem CID 66307473) has the molecular formula C14H22BrN3S and a molecular weight of 344.32 g/mol. Its IUPAC name is 5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-methylpyrimidin-4-amine
PubChem CID66307473
Molecular FormulaC14H22BrN3S
Molecular Weight344.32 g/mol
Exact Mass343.07
IUPAC Name5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-methylpyrimidin-4-amine
SMILESCCNc1nc(CSC2CCCCC2)nc(C)c1Br
InChIInChI=1S/C14H22BrN3S/c1-3-16-14-13(15)10(2)17-12(18-14)9-19-11-7-5-4-6-8-11/h11H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyKLZBBSHPCOUMNZ-UHFFFAOYSA-N
XLogP4.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.32
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66307556
2-(cyclohexylsulfanylmethyl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 65144312
2-(cyclohexylsulfanylmethyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 65144264
5-bromo-2-(cyclohexylsulfanylmethyl)-6-ethyl-N-methylpyrimidin-4-amine
CID 66299440
2-(cyclopentylsulfanylmethyl)-N,5,6-trimethylpyrimidin-4-amine
CID 65140383
2-(cyclopentylsulfanylmethyl)-N-ethyl-5-iodopyrimidin-4-amine
CID 66304146
3-[2-(cyclopentylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-ethylpropan-1-amine
CID 65140797
2-(cyclopentylsulfanylmethyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 65140533
4-chloro-2-(cyclohexylsulfanylmethyl)-5-iodo-6-methylpyrimidine
CID 66292323
2-[2-(cyclohexylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
CID 65144126
2-(cyclopentylsulfanylmethyl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 65140741
5-bromo-4-chloro-2-(cyclopentylsulfanylmethyl)-6-ethylpyrimidine
CID 66294627

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-methylpyrimidin-4-amine (CID 66307473) is 5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-methylpyrimidin-4-amine is CCNc1nc(CSC2CCCCC2)nc(C)c1Br.
What is the InChIKey of 5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-methylpyrimidin-4-amine?
The InChIKey is KLZBBSHPCOUMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3S/c1-3-16-14-13(15)10(2)17-12(18-14)9-19-11-7-5-4-6-8-11/h11H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-methylpyrimidin-4-amine?
5-bromo-2-(cyclohexylsulfanylmethyl)-N-ethyl-6-methylpyrimidin-4-amine has a molecular weight of 344.32 g/mol, XLogP of 4.55, 5 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-methylpyrimidin-4-amine is sourced from PubChem (CID 66307473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).