4-methyl-6-(4-methylsulfanylphenyl)-5-prop-1-ynylpyrimidin-2-amine;methylsulfanylmethane

C17H21N3S2 — CID 143932948

IUPAC4-methyl-6-(4-methylsulfanylphenyl)-5-prop-1-ynylpyrimidin-2-amine;methylsulfanylmethane
SMILESCC#Cc1c(C)nc(N)nc1-c1ccc(SC)cc1.CSC
InChIInChI=1S/C15H15N3S.C2H6S/c1-4-5-13-10(2)17-15(16)18-14(13)11-6-8-12(19-3)9-7-11;1-3-2/h6-9H,1-3H3,(H2,16,17,18);1-2H3
InChIKeyQPTLGIDUNHPFGE-UHFFFAOYSA-N
MW331.51 g/mol
LogP4.11
Rot. Bonds2

About 4-methyl-6-(4-methylsulfanylphenyl)-5-prop-1-ynylpyrimidin-2-amine;methylsulfanylmethane

4-methyl-6-(4-methylsulfanylphenyl)-5-prop-1-ynylpyrimidin-2-amine;methylsulfanylmethane (PubChem CID 143932948) has the molecular formula C17H21N3S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is 4-methyl-6-(4-methylsulfanylphenyl)-5-prop-1-ynylpyrimidin-2-amine;methylsulfanylmethane.

Molecular Properties

Compound Name4-methyl-6-(4-methylsulfanylphenyl)-5-prop-1-ynylpyrimidin-2-amine;methylsulfanylmethane
PubChem CID143932948
Molecular FormulaC17H21N3S2
Molecular Weight331.51 g/mol
Exact Mass331.12
IUPAC Name4-methyl-6-(4-methylsulfanylphenyl)-5-prop-1-ynylpyrimidin-2-amine;methylsulfanylmethane
SMILESCC#Cc1c(C)nc(N)nc1-c1ccc(SC)cc1.CSC
InChIInChI=1S/C15H15N3S.C2H6S/c1-4-5-13-10(2)17-15(16)18-14(13)11-6-8-12(19-3)9-7-11;1-3-2/h6-9H,1-3H3,(H2,16,17,18);1-2H3
InChIKeyQPTLGIDUNHPFGE-UHFFFAOYSA-N
XLogP4.11
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
5-ethynyl-4-methyl-6-(4-methylsulfinylphenyl)pyrimidin-2-amine
CID 149345382
methyl 4-[2-amino-5-[2-(6-amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]benzoate
CID 58513426
5-[2-(6-amino-3-pyridinyl)ethynyl]-4-methyl-6-quinoxalin-6-ylpyrimidin-2-amine
CID 58513154
4-chloro-6-(4-methylsulfanylphenyl)pyrimidin-2-amine;ethane
CID 143206145
5-[2-[6-(ethylamino)-3-pyridinyl]ethynyl]-4-methyl-6-(4-methylsulfonylphenyl)pyrimidin-2-amine
CID 58513551
5-[2-(6-amino-3-pyridinyl)ethynyl]-4-(1,3-benzodioxol-5-yl)-6-methylpyrimidin-2-amine
CID 58513218
2-amino-6-(2-methylphenyl)-4-(4-methylsulfanylphenyl)pyridine-3-carbonitrile
CID 5230491
2-methyl-4-(4-methylsulfanylphenyl)pyrimidine-5-carboxylic acid
CID 82484578
5-[2-amino-5-[2-(6-amino-3-pyridinyl)ethynyl]-6-methylpyrimidin-4-yl]-2-chlorobenzoic acid
CID 58513553
4-(6-methoxy-3-pyridinyl)-6-methyl-5-[2-[6-(methylamino)-3-pyridinyl]ethynyl]pyrimidin-2-amine
CID 143932920
1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene
CID 130214671

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(4-methylsulfanylphenyl)-5-prop-1-ynylpyrimidin-2-amine;methylsulfanylmethane?
The IUPAC name of 4-methyl-6-(4-methylsulfanylphenyl)-5-prop-1-ynylpyrimidin-2-amine;methylsulfanylmethane (CID 143932948) is 4-methyl-6-(4-methylsulfanylphenyl)-5-prop-1-ynylpyrimidin-2-amine;methylsulfanylmethane.
What is the SMILES notation for 4-methyl-6-(4-methylsulfanylphenyl)-5-prop-1-ynylpyrimidin-2-amine;methylsulfanylmethane?
The canonical SMILES for 4-methyl-6-(4-methylsulfanylphenyl)-5-prop-1-ynylpyrimidin-2-amine;methylsulfanylmethane is CC#Cc1c(C)nc(N)nc1-c1ccc(SC)cc1.CSC.
What is the InChIKey of 4-methyl-6-(4-methylsulfanylphenyl)-5-prop-1-ynylpyrimidin-2-amine;methylsulfanylmethane?
The InChIKey is QPTLGIDUNHPFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S.C2H6S/c1-4-5-13-10(2)17-15(16)18-14(13)11-6-8-12(19-3)9-7-11;1-3-2/h6-9H,1-3H3,(H2,16,17,18);1-2H3.
What are the key properties of 4-methyl-6-(4-methylsulfanylphenyl)-5-prop-1-ynylpyrimidin-2-amine;methylsulfanylmethane?
4-methyl-6-(4-methylsulfanylphenyl)-5-prop-1-ynylpyrimidin-2-amine;methylsulfanylmethane has a molecular weight of 331.51 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(4-methylsulfanylphenyl)-5-prop-1-ynylpyrimidin-2-amine;methylsulfanylmethane is sourced from PubChem (CID 143932948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).