2-N,2-N-dimethyl-4-N-(2-phenylsulfanylethyl)pyrimidine-2,4-diamine

C14H18N4S — CID 64831051

IUPAC2-N,2-N-dimethyl-4-N-(2-phenylsulfanylethyl)pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NCCSc2ccccc2)n1
InChIInChI=1S/C14H18N4S/c1-18(2)14-16-9-8-13(17-14)15-10-11-19-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,15,16,17)
InChIKeyTYRGDCHHLCFQRP-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.75
Rot. Bonds6

About 2-N,2-N-dimethyl-4-N-(2-phenylsulfanylethyl)pyrimidine-2,4-diamine

2-N,2-N-dimethyl-4-N-(2-phenylsulfanylethyl)pyrimidine-2,4-diamine (PubChem CID 64831051) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-4-N-(2-phenylsulfanylethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-4-N-(2-phenylsulfanylethyl)pyrimidine-2,4-diamine
PubChem CID64831051
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name2-N,2-N-dimethyl-4-N-(2-phenylsulfanylethyl)pyrimidine-2,4-diamine
SMILESCN(C)c1nccc(NCCSc2ccccc2)n1
InChIInChI=1S/C14H18N4S/c1-18(2)14-16-9-8-13(17-14)15-10-11-19-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,15,16,17)
InChIKeyTYRGDCHHLCFQRP-UHFFFAOYSA-N
XLogP2.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(2-phenylsulfanylethylamino)pyrimidine-2-carboxylate
CID 66286042
2-N,2-N-dimethyl-4-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 64830478
4-N-[2-(2-aminoethoxy)ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64829141
2-N,2-N-dimethyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 64829086
4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64830672
N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 64831444
N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 64828497
N-(2-phenylsulfanylethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372397
4-N-(2-cyclobutylethyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 115689924
4-N-[2-(dimethylamino)ethyl]-2-N-methyl-2-N-phenylpyrimidine-2,4-diamine
CID 112887032
2-N-(2-phenylsulfanylethyl)pyrazine-2,6-diamine
CID 78989045
6-fluoro-N-(2-phenylsulfanylethyl)pyrimidin-4-amine
CID 106193063

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-4-N-(2-phenylsulfanylethyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-4-N-(2-phenylsulfanylethyl)pyrimidine-2,4-diamine (CID 64831051) is 2-N,2-N-dimethyl-4-N-(2-phenylsulfanylethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-4-N-(2-phenylsulfanylethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-4-N-(2-phenylsulfanylethyl)pyrimidine-2,4-diamine is CN(C)c1nccc(NCCSc2ccccc2)n1.
What is the InChIKey of 2-N,2-N-dimethyl-4-N-(2-phenylsulfanylethyl)pyrimidine-2,4-diamine?
The InChIKey is TYRGDCHHLCFQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-18(2)14-16-9-8-13(17-14)15-10-11-19-12-6-4-3-5-7-12/h3-9H,10-11H2,1-2H3,(H,15,16,17).
What are the key properties of 2-N,2-N-dimethyl-4-N-(2-phenylsulfanylethyl)pyrimidine-2,4-diamine?
2-N,2-N-dimethyl-4-N-(2-phenylsulfanylethyl)pyrimidine-2,4-diamine has a molecular weight of 274.39 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-4-N-(2-phenylsulfanylethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 64831051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).