N,2,5-trimethyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine

C15H19N3S — CID 80889060

IUPACN,2,5-trimethyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine
SMILESCNc1nc(C)nc(SCc2cccc(C)c2)c1C
InChIInChI=1S/C15H19N3S/c1-10-6-5-7-13(8-10)9-19-15-11(2)14(16-4)17-12(3)18-15/h5-8H,9H2,1-4H3,(H,16,17,18)
InChIKeyRTXQQRAQBMZIOF-UHFFFAOYSA-N
MW273.41 g/mol
LogP3.74
Rot. Bonds4

About N,2,5-trimethyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine

N,2,5-trimethyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine (PubChem CID 80889060) has the molecular formula C15H19N3S and a molecular weight of 273.41 g/mol. Its IUPAC name is N,2,5-trimethyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2,5-trimethyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine
PubChem CID80889060
Molecular FormulaC15H19N3S
Molecular Weight273.41 g/mol
Exact Mass273.13
IUPAC NameN,2,5-trimethyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine
SMILESCNc1nc(C)nc(SCc2cccc(C)c2)c1C
InChIInChI=1S/C15H19N3S/c1-10-6-5-7-13(8-10)9-19-15-11(2)14(16-4)17-12(3)18-15/h5-8H,9H2,1-4H3,(H,16,17,18)
InChIKeyRTXQQRAQBMZIOF-UHFFFAOYSA-N
XLogP3.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine?
The IUPAC name of N,2,5-trimethyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine (CID 80889060) is N,2,5-trimethyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine.
What is the SMILES notation for N,2,5-trimethyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine?
The canonical SMILES for N,2,5-trimethyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine is CNc1nc(C)nc(SCc2cccc(C)c2)c1C.
What is the InChIKey of N,2,5-trimethyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine?
The InChIKey is RTXQQRAQBMZIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S/c1-10-6-5-7-13(8-10)9-19-15-11(2)14(16-4)17-12(3)18-15/h5-8H,9H2,1-4H3,(H,16,17,18).
What are the key properties of N,2,5-trimethyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine?
N,2,5-trimethyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine has a molecular weight of 273.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-6-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 80889060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).