4-N-methyl-2-methylsulfanyl-4-N-phenyl-6-N-propylpyrimidine-4,6-diamine

C15H20N4S — CID 80767422

IUPAC4-N-methyl-2-methylsulfanyl-4-N-phenyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)c2ccccc2)nc(SC)n1
InChIInChI=1S/C15H20N4S/c1-4-10-16-13-11-14(18-15(17-13)20-3)19(2)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,16,17,18)
InChIKeyVHDRANSTJWLTSB-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.79
Rot. Bonds6

About 4-N-methyl-2-methylsulfanyl-4-N-phenyl-6-N-propylpyrimidine-4,6-diamine

4-N-methyl-2-methylsulfanyl-4-N-phenyl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80767422) has the molecular formula C15H20N4S and a molecular weight of 288.42 g/mol. Its IUPAC name is 4-N-methyl-2-methylsulfanyl-4-N-phenyl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-2-methylsulfanyl-4-N-phenyl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80767422
Molecular FormulaC15H20N4S
Molecular Weight288.42 g/mol
Exact Mass288.14
IUPAC Name4-N-methyl-2-methylsulfanyl-4-N-phenyl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)c2ccccc2)nc(SC)n1
InChIInChI=1S/C15H20N4S/c1-4-10-16-13-11-14(18-15(17-13)20-3)19(2)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,16,17,18)
InChIKeyVHDRANSTJWLTSB-UHFFFAOYSA-N
XLogP3.79
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,4-N-dimethyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80765397
4-N-butyl-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80753744
4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80809385
4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80815078
4-N-methyl-2-methylsulfanyl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80791496
4-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-methylamino]benzonitrile
CID 80808574
2-methylsulfanyl-6-phenylmethoxy-N-propylpyrimidin-4-amine
CID 80858727
3-[methyl-[2-methylsulfanyl-6-(propylamino)pyrimidin-4-yl]amino]butanenitrile
CID 80829045
6-N-methyl-2-methylsulfanyl-4-N-propylpyrimidine-4,6-diamine
CID 80765356
6-N-ethyl-4-N-methyl-4-N-phenylpyrimidine-2,4,6-triamine
CID 80767341
2-methylsulfanyl-4-N-(2-methylsulfanylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80838992
2-methylsulfanyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80778062

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-2-methylsulfanyl-4-N-phenyl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-2-methylsulfanyl-4-N-phenyl-6-N-propylpyrimidine-4,6-diamine (CID 80767422) is 4-N-methyl-2-methylsulfanyl-4-N-phenyl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-2-methylsulfanyl-4-N-phenyl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-2-methylsulfanyl-4-N-phenyl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(N(C)c2ccccc2)nc(SC)n1.
What is the InChIKey of 4-N-methyl-2-methylsulfanyl-4-N-phenyl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is VHDRANSTJWLTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4S/c1-4-10-16-13-11-14(18-15(17-13)20-3)19(2)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H,16,17,18).
What are the key properties of 4-N-methyl-2-methylsulfanyl-4-N-phenyl-6-N-propylpyrimidine-4,6-diamine?
4-N-methyl-2-methylsulfanyl-4-N-phenyl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 288.42 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-2-methylsulfanyl-4-N-phenyl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80767422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).