4-N-(4-methylsulfanylphenyl)-6-N-propylpyrimidine-2,4,6-triamine

C14H19N5S — CID 80759731

IUPAC4-N-(4-methylsulfanylphenyl)-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(Nc2ccc(SC)cc2)nc(N)n1
InChIInChI=1S/C14H19N5S/c1-3-8-16-12-9-13(19-14(15)18-12)17-10-4-6-11(20-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H4,15,16,17,18,19)
InChIKeyJBPKTLVNJDAEQK-UHFFFAOYSA-N
MW289.41 g/mol
LogP3.35
Rot. Bonds6

About 4-N-(4-methylsulfanylphenyl)-6-N-propylpyrimidine-2,4,6-triamine

4-N-(4-methylsulfanylphenyl)-6-N-propylpyrimidine-2,4,6-triamine (PubChem CID 80759731) has the molecular formula C14H19N5S and a molecular weight of 289.41 g/mol. Its IUPAC name is 4-N-(4-methylsulfanylphenyl)-6-N-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(4-methylsulfanylphenyl)-6-N-propylpyrimidine-2,4,6-triamine
PubChem CID80759731
Molecular FormulaC14H19N5S
Molecular Weight289.41 g/mol
Exact Mass289.14
IUPAC Name4-N-(4-methylsulfanylphenyl)-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(Nc2ccc(SC)cc2)nc(N)n1
InChIInChI=1S/C14H19N5S/c1-3-8-16-12-9-13(19-14(15)18-12)17-10-4-6-11(20-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H4,15,16,17,18,19)
InChIKeyJBPKTLVNJDAEQK-UHFFFAOYSA-N
XLogP3.35
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.41
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[2-amino-6-(propylamino)pyrimidin-4-yl]amino]-2-fluorobenzonitrile
CID 80797148
6-N-methyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80766256
4-N,6-N-bis(4-tert-butylphenyl)pyrimidine-2,4,6-triamine
CID 101085708
4-N-(2-methyl-2-methylsulfanylpropyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 113479527
4-N-(5-bromo-2-fluorophenyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80787761
5-N-(4-methylsulfanylphenyl)-3-N-propylpyridine-3,5-diamine
CID 104532143
4-N-(4-chlorophenyl)-2-cyclopropyl-6-N-propylpyrimidine-4,6-diamine
CID 80955948
4-N-(3-methylphenyl)-2-methylsulfanyl-6-N-propylpyrimidine-4,6-diamine
CID 80755461
4-N-(2-chloro-4-methylphenyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80755241
4-N,6-N-bis(4-ethoxyphenyl)pyrimidine-2,4,6-triamine
CID 15556985
4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80791556
4-N-(3,4-dichlorophenyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80768233

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methylsulfanylphenyl)-6-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(4-methylsulfanylphenyl)-6-N-propylpyrimidine-2,4,6-triamine (CID 80759731) is 4-N-(4-methylsulfanylphenyl)-6-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(4-methylsulfanylphenyl)-6-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(4-methylsulfanylphenyl)-6-N-propylpyrimidine-2,4,6-triamine is CCCNc1cc(Nc2ccc(SC)cc2)nc(N)n1.
What is the InChIKey of 4-N-(4-methylsulfanylphenyl)-6-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is JBPKTLVNJDAEQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5S/c1-3-8-16-12-9-13(19-14(15)18-12)17-10-4-6-11(20-2)7-5-10/h4-7,9H,3,8H2,1-2H3,(H4,15,16,17,18,19).
What are the key properties of 4-N-(4-methylsulfanylphenyl)-6-N-propylpyrimidine-2,4,6-triamine?
4-N-(4-methylsulfanylphenyl)-6-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 289.41 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methylsulfanylphenyl)-6-N-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80759731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).