4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine

C11H15N5OS — CID 114181084

IUPAC4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCc1cnc(CNc2cc(N)nc(SC)n2)o1
InChIInChI=1S/C11H15N5OS/c1-3-7-5-14-10(17-7)6-13-9-4-8(12)15-11(16-9)18-2/h4-5H,3,6H2,1-2H3,(H3,12,13,15,16)
InChIKeyIXFICMPPQDYEEL-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.94
Rot. Bonds5

About 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine

4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine (PubChem CID 114181084) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
PubChem CID114181084
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
SMILESCCc1cnc(CNc2cc(N)nc(SC)n2)o1
InChIInChI=1S/C11H15N5OS/c1-3-7-5-14-10(17-7)6-13-9-4-8(12)15-11(16-9)18-2/h4-5H,3,6H2,1-2H3,(H3,12,13,15,16)
InChIKeyIXFICMPPQDYEEL-UHFFFAOYSA-N
XLogP1.94
TPSA89.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 106378527
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidine-2,4,6-triamine
CID 106378379
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-methoxypyrimidine-2,4-diamine
CID 114181079
6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrimidin-4-amine
CID 106379019
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 106378500
6-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 106898452
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 106378503
1-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-fluorobenzene-1,2-diamine
CID 114179972
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine
CID 80812985
6-bromo-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106375419
2-chloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyrimidin-4-amine
CID 106898455
5-bromo-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]pyridine-3,4-diamine
CID 106369404

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine (CID 114181084) is 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine is CCc1cnc(CNc2cc(N)nc(SC)n2)o1.
What is the InChIKey of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
The InChIKey is IXFICMPPQDYEEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-3-7-5-14-10(17-7)6-13-9-4-8(12)15-11(16-9)18-2/h4-5H,3,6H2,1-2H3,(H3,12,13,15,16).
What are the key properties of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine?
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine has a molecular weight of 265.34 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylpyrimidine-4,6-diamine is sourced from PubChem (CID 114181084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).