6-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-2-phenylpyrimidin-4-amine

C16H22N4S — CID 115916084

IUPAC6-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-2-phenylpyrimidin-4-amine
SMILESCCNc1cc(SCCN(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C16H22N4S/c1-4-17-14-12-15(21-11-10-20(2)3)19-16(18-14)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,17,18,19)
InChIKeyJVDKEKQSNJEABJ-UHFFFAOYSA-N
MW302.45 g/mol
LogP3.23
Rot. Bonds7

About 6-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-2-phenylpyrimidin-4-amine

6-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-2-phenylpyrimidin-4-amine (PubChem CID 115916084) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 6-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-2-phenylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-2-phenylpyrimidin-4-amine
PubChem CID115916084
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name6-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-2-phenylpyrimidin-4-amine
SMILESCCNc1cc(SCCN(C)C)nc(-c2ccccc2)n1
InChIInChI=1S/C16H22N4S/c1-4-17-14-12-15(21-11-10-20(2)3)19-16(18-14)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,17,18,19)
InChIKeyJVDKEKQSNJEABJ-UHFFFAOYSA-N
XLogP3.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-6-(3-methoxypropylsulfanyl)-2-phenylpyrimidin-4-amine
CID 115916062
3-[6-(ethylamino)-2-phenylpyrimidin-4-yl]sulfanylpropane-1,2-diol
CID 115916082
N-methyl-2-phenyl-6-propylsulfanylpyrimidin-4-amine
CID 112559927
6-[2-(dimethylamino)ethylsulfanyl]-N-ethylpyridin-2-amine
CID 80894664
6-N-ethyl-4-N-methyl-2-phenyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115915212
6-ethylsulfanyl-N-methyl-2-phenylpyrimidin-4-amine
CID 112559921
4-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 112559773
(6-ethylsulfanyl-2-phenylpyrimidin-4-yl)hydrazine
CID 112560009
N-ethyl-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 62191461
4-N-(2,2-difluoroethyl)-6-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 115915739
6-N-ethyl-2-phenyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 115915258
6-N-ethyl-4-N-(3-methylbutan-2-yl)-2-phenylpyrimidine-4,6-diamine
CID 115915170

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-2-phenylpyrimidin-4-amine?
The IUPAC name of 6-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-2-phenylpyrimidin-4-amine (CID 115916084) is 6-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-2-phenylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-2-phenylpyrimidin-4-amine?
The canonical SMILES for 6-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-2-phenylpyrimidin-4-amine is CCNc1cc(SCCN(C)C)nc(-c2ccccc2)n1.
What is the InChIKey of 6-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-2-phenylpyrimidin-4-amine?
The InChIKey is JVDKEKQSNJEABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-4-17-14-12-15(21-11-10-20(2)3)19-16(18-14)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3,(H,17,18,19).
What are the key properties of 6-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-2-phenylpyrimidin-4-amine?
6-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-2-phenylpyrimidin-4-amine has a molecular weight of 302.45 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(dimethylamino)ethylsulfanyl]-N-ethyl-2-phenylpyrimidin-4-amine is sourced from PubChem (CID 115916084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).