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

C11H16N6O — CID 80813528

IUPAC6-N-ethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCc2cc(C)no2)nc(N)n1
InChIInChI=1S/C11H16N6O/c1-3-13-9-5-10(16-11(12)15-9)14-6-8-4-7(2)17-18-8/h4-5H,3,6H2,1-2H3,(H4,12,13,14,15,16)
InChIKeyRUOWCURRMNFBAJ-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.40
Rot. Bonds5

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

6-N-ethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine (PubChem CID 80813528) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine
PubChem CID80813528
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name6-N-ethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine
SMILESCCNc1cc(NCc2cc(C)no2)nc(N)n1
InChIInChI=1S/C11H16N6O/c1-3-13-9-5-10(16-11(12)15-9)14-6-8-4-7(2)17-18-8/h4-5H,3,6H2,1-2H3,(H4,12,13,14,15,16)
InChIKeyRUOWCURRMNFBAJ-UHFFFAOYSA-N
XLogP1.40
TPSA101.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-N-ethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine with MolForge

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Related Compounds

6-N-ethyl-4-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4,6-triamine
CID 80813441
4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 106378786
6-N-ethyl-4-N-[(5-methylpyrazin-2-yl)methyl]pyrimidine-2,4,6-triamine
CID 80825317
2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80813996
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
5,6-dimethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrazin-2-amine
CID 114475644
6-hydrazinyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102720647
6-N-ethyl-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4,6-triamine
CID 80772345
4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80768954
4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-N-propylpyrimidine-2,4,6-triamine
CID 80814394
4-N-[(3,4-difluorophenyl)methyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80805539
2-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-(1,2,4-triazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80814258

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine (CID 80813528) is 6-N-ethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine is CCNc1cc(NCc2cc(C)no2)nc(N)n1.
What is the InChIKey of 6-N-ethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine?
The InChIKey is RUOWCURRMNFBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-3-13-9-5-10(16-11(12)15-9)14-6-8-4-7(2)17-18-8/h4-5H,3,6H2,1-2H3,(H4,12,13,14,15,16).
What are the key properties of 6-N-ethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine?
6-N-ethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine has a molecular weight of 248.29 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80813528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).