2-methyl-N-[(2-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]propan-2-amine

C16H21N3S — CID 63814344

IUPAC2-methyl-N-[(2-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]propan-2-amine
SMILESCc1cc(Sc2ccncn2)ccc1CNC(C)(C)C
InChIInChI=1S/C16H21N3S/c1-12-9-14(20-15-7-8-17-11-18-15)6-5-13(12)10-19-16(2,3)4/h5-9,11,19H,10H2,1-4H3
InChIKeyNVEQJSLNQKLXKJ-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.82
Rot. Bonds4

About 2-methyl-N-[(2-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]propan-2-amine

2-methyl-N-[(2-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]propan-2-amine (PubChem CID 63814344) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is 2-methyl-N-[(2-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]propan-2-amine
PubChem CID63814344
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC Name2-methyl-N-[(2-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]propan-2-amine
SMILESCc1cc(Sc2ccncn2)ccc1CNC(C)(C)C
InChIInChI=1S/C16H21N3S/c1-12-9-14(20-15-7-8-17-11-18-15)6-5-13(12)10-19-16(2,3)4/h5-9,11,19H,10H2,1-4H3
InChIKeyNVEQJSLNQKLXKJ-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(2-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]propan-2-amine (CID 63814344) is 2-methyl-N-[(2-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(2-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(2-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]propan-2-amine is Cc1cc(Sc2ccncn2)ccc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[(2-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]propan-2-amine?
The InChIKey is NVEQJSLNQKLXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-12-9-14(20-15-7-8-17-11-18-15)6-5-13(12)10-19-16(2,3)4/h5-9,11,19H,10H2,1-4H3.
What are the key properties of 2-methyl-N-[(2-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]propan-2-amine?
2-methyl-N-[(2-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]propan-2-amine has a molecular weight of 287.43 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methyl-4-pyrimidin-4-ylsulfanylphenyl)methyl]propan-2-amine is sourced from PubChem (CID 63814344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).