6-(2-methylsulfanylphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine

C17H18N4S — CID 68913093

IUPAC6-(2-methylsulfanylphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine
SMILESCCCc1nc(N)nc2ccc(-c3ccccc3SC)nc12
InChIInChI=1S/C17H18N4S/c1-3-6-13-16-14(21-17(18)20-13)10-9-12(19-16)11-7-4-5-8-15(11)22-2/h4-5,7-10H,3,6H2,1-2H3,(H2,18,20,21)
InChIKeyJIVCSBUOZMEKEI-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.95
Rot. Bonds4

About 6-(2-methylsulfanylphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine

6-(2-methylsulfanylphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine (PubChem CID 68913093) has the molecular formula C17H18N4S and a molecular weight of 310.43 g/mol. Its IUPAC name is 6-(2-methylsulfanylphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(2-methylsulfanylphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine
PubChem CID68913093
Molecular FormulaC17H18N4S
Molecular Weight310.43 g/mol
Exact Mass310.13
IUPAC Name6-(2-methylsulfanylphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine
SMILESCCCc1nc(N)nc2ccc(-c3ccccc3SC)nc12
InChIInChI=1S/C17H18N4S/c1-3-6-13-16-14(21-17(18)20-13)10-9-12(19-16)11-7-4-5-8-15(11)22-2/h4-5,7-10H,3,6H2,1-2H3,(H2,18,20,21)
InChIKeyJIVCSBUOZMEKEI-UHFFFAOYSA-N
XLogP3.95
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylsulfanylphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 6-(2-methylsulfanylphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine (CID 68913093) is 6-(2-methylsulfanylphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 6-(2-methylsulfanylphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 6-(2-methylsulfanylphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine is CCCc1nc(N)nc2ccc(-c3ccccc3SC)nc12.
What is the InChIKey of 6-(2-methylsulfanylphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is JIVCSBUOZMEKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4S/c1-3-6-13-16-14(21-17(18)20-13)10-9-12(19-16)11-7-4-5-8-15(11)22-2/h4-5,7-10H,3,6H2,1-2H3,(H2,18,20,21).
What are the key properties of 6-(2-methylsulfanylphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine?
6-(2-methylsulfanylphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 310.43 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylsulfanylphenyl)-4-propylpyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 68913093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).