5-ethynyl-4-methyl-6-(4-methylsulfinylphenyl)pyrimidin-2-amine

C14H13N3OS — CID 149345382

IUPAC5-ethynyl-4-methyl-6-(4-methylsulfinylphenyl)pyrimidin-2-amine
SMILESC#Cc1c(C)nc(N)nc1-c1ccc(S(C)=O)cc1
InChIInChI=1S/C14H13N3OS/c1-4-12-9(2)16-14(15)17-13(12)10-5-7-11(8-6-10)19(3)18/h1,5-8H,2-3H3,(H2,15,16,17)
InChIKeyYEYXQXPLEYPNCK-UHFFFAOYSA-N
MW271.35 g/mol
LogP1.75
Rot. Bonds2

About 5-ethynyl-4-methyl-6-(4-methylsulfinylphenyl)pyrimidin-2-amine

5-ethynyl-4-methyl-6-(4-methylsulfinylphenyl)pyrimidin-2-amine (PubChem CID 149345382) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 5-ethynyl-4-methyl-6-(4-methylsulfinylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-ethynyl-4-methyl-6-(4-methylsulfinylphenyl)pyrimidin-2-amine
PubChem CID149345382
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name5-ethynyl-4-methyl-6-(4-methylsulfinylphenyl)pyrimidin-2-amine
SMILESC#Cc1c(C)nc(N)nc1-c1ccc(S(C)=O)cc1
InChIInChI=1S/C14H13N3OS/c1-4-12-9(2)16-14(15)17-13(12)10-5-7-11(8-6-10)19(3)18/h1,5-8H,2-3H3,(H2,15,16,17)
InChIKeyYEYXQXPLEYPNCK-UHFFFAOYSA-N
XLogP1.75
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-methyl-6-(4-methylsulfanylphenyl)-5-prop-1-ynylpyrimidin-2-amine
CID 143932949
4-methyl-6-(4-methylsulfanylphenyl)-5-prop-1-ynylpyrimidin-2-amine;methylsulfanylmethane
CID 143932948
4-methylsulfinylaniline
CID 11435065
3-methyl-5-(4-methylsulfinylphenyl)pyridine
CID 91212115
2-amino-N,4-dimethyl-6-(4-methylphenyl)pyrimidine-5-carboxamide
CID 54854058
2-amino-4-methyl-6-(4-phenylphenyl)pyrimidine-5-carboxamide
CID 54850579
2-amino-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 53430507
2-amino-4-methyl-6-(4-methylphenyl)pyrimidine-5-carbohydrazide
CID 54851744
methyl 4-[2-amino-5-[2-(6-amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]benzoate
CID 58513426
5-[2-amino-5-[2-(6-amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]-2-chlorobenzoic acid
CID 58513553
2-(4-chlorophenyl)-3-(4-methylsulfinylphenyl)pyridine
CID 57076120
N,N,4-tris(4-methylphenyl)-2-(4-methylsulfinylphenyl)-1,3-thiazol-5-amine
CID 177421608

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-4-methyl-6-(4-methylsulfinylphenyl)pyrimidin-2-amine?
The IUPAC name of 5-ethynyl-4-methyl-6-(4-methylsulfinylphenyl)pyrimidin-2-amine (CID 149345382) is 5-ethynyl-4-methyl-6-(4-methylsulfinylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-ethynyl-4-methyl-6-(4-methylsulfinylphenyl)pyrimidin-2-amine?
The canonical SMILES for 5-ethynyl-4-methyl-6-(4-methylsulfinylphenyl)pyrimidin-2-amine is C#Cc1c(C)nc(N)nc1-c1ccc(S(C)=O)cc1.
What is the InChIKey of 5-ethynyl-4-methyl-6-(4-methylsulfinylphenyl)pyrimidin-2-amine?
The InChIKey is YEYXQXPLEYPNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-4-12-9(2)16-14(15)17-13(12)10-5-7-11(8-6-10)19(3)18/h1,5-8H,2-3H3,(H2,15,16,17).
What are the key properties of 5-ethynyl-4-methyl-6-(4-methylsulfinylphenyl)pyrimidin-2-amine?
5-ethynyl-4-methyl-6-(4-methylsulfinylphenyl)pyrimidin-2-amine has a molecular weight of 271.35 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-4-methyl-6-(4-methylsulfinylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 149345382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).