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

C14H17ClN4OS — CID 1475484

IUPAC6-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine
SMILESCNc1nc(Cl)c(SC)c(NCc2cccc(OC)c2)n1
InChIInChI=1S/C14H17ClN4OS/c1-16-14-18-12(15)11(21-3)13(19-14)17-8-9-5-4-6-10(7-9)20-2/h4-7H,8H2,1-3H3,(H2,16,17,18,19)
InChIKeyLDRLAXKODINQOR-UHFFFAOYSA-N
MW324.84 g/mol
LogP3.51
Rot. Bonds6

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

6-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine (PubChem CID 1475484) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 6-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine
PubChem CID1475484
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name6-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine
SMILESCNc1nc(Cl)c(SC)c(NCc2cccc(OC)c2)n1
InChIInChI=1S/C14H17ClN4OS/c1-16-14-18-12(15)11(21-3)13(19-14)17-8-9-5-4-6-10(7-9)20-2/h4-7H,8H2,1-3H3,(H2,16,17,18,19)
InChIKeyLDRLAXKODINQOR-UHFFFAOYSA-N
XLogP3.51
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine (CID 1475484) is 6-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine is CNc1nc(Cl)c(SC)c(NCc2cccc(OC)c2)n1.
What is the InChIKey of 6-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine?
The InChIKey is LDRLAXKODINQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-16-14-18-12(15)11(21-3)13(19-14)17-8-9-5-4-6-10(7-9)20-2/h4-7H,8H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 6-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine?
6-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine has a molecular weight of 324.84 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[(3-methoxyphenyl)methyl]-2-N-methyl-5-methylsulfanylpyrimidine-2,4-diamine is sourced from PubChem (CID 1475484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).