6-chloro-4-N-[(3,4-dichlorophenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine

C13H13Cl3N4S — CID 1475488

IUPAC6-chloro-4-N-[(3,4-dichlorophenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine
SMILESCNc1nc(Cl)c(SC)c(NCc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H13Cl3N4S/c1-17-13-19-11(16)10(21-2)12(20-13)18-6-7-3-4-8(14)9(15)5-7/h3-5H,6H2,1-2H3,(H2,17,18,19,20)
InChIKeyIIFLGFVWNNEYCI-UHFFFAOYSA-N
MW363.70 g/mol
LogP4.81
Rot. Bonds5

About 6-chloro-4-N-[(3,4-dichlorophenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine

6-chloro-4-N-[(3,4-dichlorophenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine (PubChem CID 1475488) has the molecular formula C13H13Cl3N4S and a molecular weight of 363.70 g/mol. Its IUPAC name is 6-chloro-4-N-[(3,4-dichlorophenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[(3,4-dichlorophenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine
PubChem CID1475488
Molecular FormulaC13H13Cl3N4S
Molecular Weight363.70 g/mol
Exact Mass361.99
IUPAC Name6-chloro-4-N-[(3,4-dichlorophenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine
SMILESCNc1nc(Cl)c(SC)c(NCc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C13H13Cl3N4S/c1-17-13-19-11(16)10(21-2)12(20-13)18-6-7-3-4-8(14)9(15)5-7/h3-5H,6H2,1-2H3,(H2,17,18,19,20)
InChIKeyIIFLGFVWNNEYCI-UHFFFAOYSA-N
XLogP4.81
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.70
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-4-N-[(3,4-dichlorophenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine with MolForge

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Related Compounds

2-N-[(3,4-dichlorophenyl)methyl]-6-N-methyl-4-N,8-N-dipropylpyrimido[5,4-d]pyrimidine-2,4,6,8-tetramine;hydrochloride
CID 90456696
6-chloro-2-N-[(3,4-difluorophenyl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80804623
N-[(3,4-dichlorophenyl)methyl]-2,4,5-trifluoroaniline
CID 63476489
4-N-[(3-chloro-4-fluorophenyl)methyl]-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80832814
3,5,6-trichloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-2-amine
CID 102750986
4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80750131
N-[(3,4-dichlorophenyl)methyl]-2,3,5-trifluoroaniline
CID 55193721
N-[2-[[5-amino-2-[(3,4-dichlorophenyl)methylamino]pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 68541096
6-chloro-N-[(3-chloro-4-fluorophenyl)methyl]-4,5-dimethylpyridazin-3-amine
CID 63271953
5-bromo-4-N-[(4-chlorophenyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80766330
N-[(3,4-dichlorophenyl)methyl]-2-methylpyrazolo[1,5-a]quinazolin-5-amine
CID 172862616
4,6-dichloro-2-[(3,4-dichlorophenyl)methyl]-5-fluoropyrimidine
CID 80550415

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[(3,4-dichlorophenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[(3,4-dichlorophenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine (CID 1475488) is 6-chloro-4-N-[(3,4-dichlorophenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[(3,4-dichlorophenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[(3,4-dichlorophenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine is CNc1nc(Cl)c(SC)c(NCc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 6-chloro-4-N-[(3,4-dichlorophenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine?
The InChIKey is IIFLGFVWNNEYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl3N4S/c1-17-13-19-11(16)10(21-2)12(20-13)18-6-7-3-4-8(14)9(15)5-7/h3-5H,6H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 6-chloro-4-N-[(3,4-dichlorophenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine?
6-chloro-4-N-[(3,4-dichlorophenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine has a molecular weight of 363.70 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[(3,4-dichlorophenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine is sourced from PubChem (CID 1475488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).