6-N-ethyl-2-methylsulfanyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine

C11H15N5OS — CID 81174173

IUPAC6-N-ethyl-2-methylsulfanyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2ccon2)nc(SC)n1
InChIInChI=1S/C11H15N5OS/c1-3-12-9-6-10(15-11(14-9)18-2)13-7-8-4-5-17-16-8/h4-6H,3,7H2,1-2H3,(H2,12,13,14,15)
InChIKeyZEBWKQFPCHGCSQ-UHFFFAOYSA-N
MW265.34 g/mol
LogP2.23
Rot. Bonds6

About 6-N-ethyl-2-methylsulfanyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine

6-N-ethyl-2-methylsulfanyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 81174173) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 6-N-ethyl-2-methylsulfanyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-2-methylsulfanyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
PubChem CID81174173
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name6-N-ethyl-2-methylsulfanyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2ccon2)nc(SC)n1
InChIInChI=1S/C11H15N5OS/c1-3-12-9-6-10(15-11(14-9)18-2)13-7-8-4-5-17-16-8/h4-6H,3,7H2,1-2H3,(H2,12,13,14,15)
InChIKeyZEBWKQFPCHGCSQ-UHFFFAOYSA-N
XLogP2.23
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-N,2-diethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 81173601
2-cyclopropyl-6-N-ethyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 81173604
6-N-ethyl-4-N-(furan-2-ylmethyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80765455
6-N-ethyl-2-methylsulfanyl-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-4,6-diamine
CID 80818024
6-N-ethyl-4-N-[(2-ethylphenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826768
6-N-ethyl-4-N-[(3-fluorophenyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80771670
4-N-[(2-chlorophenyl)methyl]-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80784846
2-[[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]amino]ethanol
CID 80765964
6-N-ethyl-2-methylsulfanyl-4-N-(4-methylsulfanylbutyl)pyrimidine-4,6-diamine
CID 113488426
2-(ethoxymethyl)-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine
CID 113401566
6-N-ethyl-4-N-[(3-methyl-4-pyridinyl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 114702224
4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826222

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-2-methylsulfanyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-2-methylsulfanyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine (CID 81174173) is 6-N-ethyl-2-methylsulfanyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-2-methylsulfanyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-2-methylsulfanyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine is CCNc1cc(NCc2ccon2)nc(SC)n1.
What is the InChIKey of 6-N-ethyl-2-methylsulfanyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is ZEBWKQFPCHGCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-3-12-9-6-10(15-11(14-9)18-2)13-7-8-4-5-17-16-8/h4-6H,3,7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 6-N-ethyl-2-methylsulfanyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine?
6-N-ethyl-2-methylsulfanyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 265.34 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-2-methylsulfanyl-4-N-(1,2-oxazol-3-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 81174173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).