4-methyl-6-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-2-amine

C14H17N3OS — CID 2175572

IUPAC4-methyl-6-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-2-amine
SMILESCc1cccc(OCCSc2cc(C)nc(N)n2)c1
InChIInChI=1S/C14H17N3OS/c1-10-4-3-5-12(8-10)18-6-7-19-13-9-11(2)16-14(15)17-13/h3-5,8-9H,6-7H2,1-2H3,(H2,15,16,17)
InChIKeyVWPMREOEMAVBFE-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.85
Rot. Bonds5

About 4-methyl-6-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-2-amine

4-methyl-6-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-2-amine (PubChem CID 2175572) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 4-methyl-6-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-2-amine
PubChem CID2175572
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name4-methyl-6-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-2-amine
SMILESCc1cccc(OCCSc2cc(C)nc(N)n2)c1
InChIInChI=1S/C14H17N3OS/c1-10-4-3-5-12(8-10)18-6-7-19-13-9-11(2)16-14(15)17-13/h3-5,8-9H,6-7H2,1-2H3,(H2,15,16,17)
InChIKeyVWPMREOEMAVBFE-UHFFFAOYSA-N
XLogP2.85
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3-(Benzyloxy)phenyl)-2-(ethylsulfinyl)-6-(trifluoromethyl)pyrimidine
CID 49868481
22-Methyl-13,18-Dioxa-7-Thia-3,5-Diazatetracyclo[17.3.1.1~2,6~.1~8,12~]pentacosa-1(23),2(25),3,5,8(24),9,11,19,21-Nonaen-4-Amine
CID 57383471
2-Amino-4-(m-methoxyphenyl)-6-(methylthio)-pyrimidine-5-carbonitrile
CID 2819137
6-[(4-Methoxybenzyl)sulfanyl]pyrimidine-2,4-Diamine
CID 25113144
6-Benzyl-2-[(3-methoxybenzyl)sulfanyl]pyrimidin-4-amine
CID 44816908
2-(3-Methoxybenzylthio)pyrimidine-4,6-diamine
CID 686956
2-(Methylsulfanyl)-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenoxy]pyrimidine
CID 1475000
23-Methyl-13,19-dioxa-7-thia-3,5-diazatetracyclo[18.3.1.12,6.18,12]hexacosa-1(23),2(26),3,5,8,10,12(25),20(24),21-nonaen-4-amine
CID 57402412
4-(4-Methylphenoxy)-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
CID 1475001
4-Methyl-6-[2-(4-methylphenoxy)ethylsulfanyl]pyrimidin-2-amine
CID 2178563
4-Methyl-6-(2-phenoxy-ethylsulfanyl)-pyrimidin-2-ylamine
CID 3156766
[3-(4,6-Dimethyl-pyrimidin-2-ylsulfanyl)-propyl]-(2-ethoxy-3-methoxy-benzyl)-amine
CID 17123421

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-2-amine (CID 2175572) is 4-methyl-6-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-2-amine is Cc1cccc(OCCSc2cc(C)nc(N)n2)c1.
What is the InChIKey of 4-methyl-6-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-2-amine?
The InChIKey is VWPMREOEMAVBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10-4-3-5-12(8-10)18-6-7-19-13-9-11(2)16-14(15)17-13/h3-5,8-9H,6-7H2,1-2H3,(H2,15,16,17).
What are the key properties of 4-methyl-6-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-2-amine?
4-methyl-6-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-2-amine has a molecular weight of 275.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[2-(3-methylphenoxy)ethylsulfanyl]pyrimidin-2-amine is sourced from PubChem (CID 2175572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).