4-methyl-2-methylsulfanyl-6-prop-2-ynoxypyrimidine

C9H10N2OS — CID 155977784

IUPAC4-methyl-2-methylsulfanyl-6-prop-2-ynoxypyrimidine
SMILESC#CCOc1cc(C)nc(SC)n1
InChIInChI=1S/C9H10N2OS/c1-4-5-12-8-6-7(2)10-9(11-8)13-3/h1,6H,5H2,2-3H3
InChIKeyYHINTZHNBAWTMM-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.52
Rot. Bonds3

About 4-methyl-2-methylsulfanyl-6-prop-2-ynoxypyrimidine

4-methyl-2-methylsulfanyl-6-prop-2-ynoxypyrimidine (PubChem CID 155977784) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 4-methyl-2-methylsulfanyl-6-prop-2-ynoxypyrimidine.

Molecular Properties

Compound Name4-methyl-2-methylsulfanyl-6-prop-2-ynoxypyrimidine
PubChem CID155977784
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name4-methyl-2-methylsulfanyl-6-prop-2-ynoxypyrimidine
SMILESC#CCOc1cc(C)nc(SC)n1
InChIInChI=1S/C9H10N2OS/c1-4-5-12-8-6-7(2)10-9(11-8)13-3/h1,6H,5H2,2-3H3
InChIKeyYHINTZHNBAWTMM-UHFFFAOYSA-N
XLogP1.52
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxy-1-piperidin-1-ylethanone
CID 6620932
6-methyl-2-methylsulfanylpyrimidine-4-thiolate
CID 53491182
4-ethoxy-6-methyl-N-prop-2-ynylpyrimidin-2-amine
CID 112637451
sodium 6-methyl-2-methylsulfanylpyrimidine-4-thiolate
CID 163331357
1-[6-methyl-2-(2-oxopropylsulfanyl)pyrimidin-4-yl]oxypropan-2-one
CID 12753455
6-methyl-2-prop-2-ynoxypyrimidine-4-carboxylic acid
CID 107554632
4-(diethoxymethyl)-6-methyl-2-methylsulfanylpyrimidine
CID 121223570
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(6-methyl-2-methylsulfanylpyrimidin-4-yl)oxyacetamide
CID 5457690
ethyl 2-(4-ethoxy-6-methylpyrimidin-2-yl)sulfanylacetate
CID 4283909
2-methyl-4-prop-2-ynoxy-5,6,7,8-tetrahydrocyclohepta[b]pyridin-9-one
CID 88587068
2-chloro-6-prop-2-ynoxypyridine-4-carbonitrile
CID 83073912
ethyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate
CID 69277954

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfanyl-6-prop-2-ynoxypyrimidine?
The IUPAC name of 4-methyl-2-methylsulfanyl-6-prop-2-ynoxypyrimidine (CID 155977784) is 4-methyl-2-methylsulfanyl-6-prop-2-ynoxypyrimidine.
What is the SMILES notation for 4-methyl-2-methylsulfanyl-6-prop-2-ynoxypyrimidine?
The canonical SMILES for 4-methyl-2-methylsulfanyl-6-prop-2-ynoxypyrimidine is C#CCOc1cc(C)nc(SC)n1.
What is the InChIKey of 4-methyl-2-methylsulfanyl-6-prop-2-ynoxypyrimidine?
The InChIKey is YHINTZHNBAWTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c1-4-5-12-8-6-7(2)10-9(11-8)13-3/h1,6H,5H2,2-3H3.
What are the key properties of 4-methyl-2-methylsulfanyl-6-prop-2-ynoxypyrimidine?
4-methyl-2-methylsulfanyl-6-prop-2-ynoxypyrimidine has a molecular weight of 194.26 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfanyl-6-prop-2-ynoxypyrimidine is sourced from PubChem (CID 155977784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).