4-N-methyl-4-N-(2-methylsulfanylethyl)-2-phenylpyrimidine-4,6-diamine

C14H18N4S — CID 112667760

IUPAC4-N-methyl-4-N-(2-methylsulfanylethyl)-2-phenylpyrimidine-4,6-diamine
SMILESCSCCN(C)c1cc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C14H18N4S/c1-18(8-9-19-2)13-10-12(15)16-14(17-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,15,16,17)
InChIKeyDKDDSWUCJKRYJE-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.53
Rot. Bonds5

About 4-N-methyl-4-N-(2-methylsulfanylethyl)-2-phenylpyrimidine-4,6-diamine

4-N-methyl-4-N-(2-methylsulfanylethyl)-2-phenylpyrimidine-4,6-diamine (PubChem CID 112667760) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-N-methyl-4-N-(2-methylsulfanylethyl)-2-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(2-methylsulfanylethyl)-2-phenylpyrimidine-4,6-diamine
PubChem CID112667760
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name4-N-methyl-4-N-(2-methylsulfanylethyl)-2-phenylpyrimidine-4,6-diamine
SMILESCSCCN(C)c1cc(N)nc(-c2ccccc2)n1
InChIInChI=1S/C14H18N4S/c1-18(8-9-19-2)13-10-12(15)16-14(17-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,15,16,17)
InChIKeyDKDDSWUCJKRYJE-UHFFFAOYSA-N
XLogP2.53
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-2-phenylpyrimidin-4-yl)-(cyanomethyl)amino]acetonitrile
CID 115915164
2-[(6-amino-2-phenylpyrimidin-4-yl)-propylamino]ethanol
CID 115915430
[2-[methyl(2-methylsulfanylethyl)amino]quinolin-4-yl]methanol
CID 112663552
4-N-butan-2-yl-4-N-ethyl-2-phenylpyrimidine-4,6-diamine
CID 115915312
4-N-cyclopentyl-4-N-methyl-2-phenylpyrimidine-4,6-diamine
CID 115915296
4-N-cyclopropyl-2-phenyl-4-N-propylpyrimidine-4,6-diamine
CID 115915302
N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 115914818
N'-(6-chloro-2-phenylpyrimidin-4-yl)-N,N,N'-trimethylpropane-1,3-diamine
CID 115914819
N-dodecyl-N-methyl-2,6-diphenylpyrimidin-4-amine
CID 59340739
4-N-methyl-4-N-(2-methylsulfanylethyl)pyrimidine-2,4-diamine
CID 112667653
4-N-methyl-4-N-(oxolan-3-yl)-2-phenylpyrimidine-4,6-diamine
CID 115915750
6-chloro-N-ethyl-N-methyl-2-phenylpyrimidin-4-amine
CID 112559630

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(2-methylsulfanylethyl)-2-phenylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-(2-methylsulfanylethyl)-2-phenylpyrimidine-4,6-diamine (CID 112667760) is 4-N-methyl-4-N-(2-methylsulfanylethyl)-2-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(2-methylsulfanylethyl)-2-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-(2-methylsulfanylethyl)-2-phenylpyrimidine-4,6-diamine is CSCCN(C)c1cc(N)nc(-c2ccccc2)n1.
What is the InChIKey of 4-N-methyl-4-N-(2-methylsulfanylethyl)-2-phenylpyrimidine-4,6-diamine?
The InChIKey is DKDDSWUCJKRYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-18(8-9-19-2)13-10-12(15)16-14(17-13)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H2,15,16,17).
What are the key properties of 4-N-methyl-4-N-(2-methylsulfanylethyl)-2-phenylpyrimidine-4,6-diamine?
4-N-methyl-4-N-(2-methylsulfanylethyl)-2-phenylpyrimidine-4,6-diamine has a molecular weight of 274.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(2-methylsulfanylethyl)-2-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112667760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).