4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine

C11H14N6O — CID 22540447

IUPAC4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine
SMILESC=CCNc1ncnc(Nc2cc(C)on2)c1N
InChIInChI=1S/C11H14N6O/c1-3-4-13-10-9(12)11(15-6-14-10)16-8-5-7(2)18-17-8/h3,5-6H,1,4,12H2,2H3,(H2,13,14,15,16,17)
InChIKeyLWXWZZABGXFOKK-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.70
Rot. Bonds5

About 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine

4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine (PubChem CID 22540447) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine
PubChem CID22540447
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine
SMILESC=CCNc1ncnc(Nc2cc(C)on2)c1N
InChIInChI=1S/C11H14N6O/c1-3-4-13-10-9(12)11(15-6-14-10)16-8-5-7(2)18-17-8/h3,5-6H,1,4,12H2,2H3,(H2,13,14,15,16,17)
InChIKeyLWXWZZABGXFOKK-UHFFFAOYSA-N
XLogP1.70
TPSA101.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 42897604
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 645713
5-fluoro-6-methyl-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine
CID 106418986
6-fluoro-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine
CID 106421705
2-N-ethyl-5-fluoro-4-N-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-diamine
CID 106424524
5-fluoro-2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-diamine
CID 106424628
5-fluoro-4-N-(1,2-oxazol-5-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 114187078
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide
CID 133907964
4-N-(5-methyl-1,2-oxazol-3-yl)-5-nitropyrimidine-4,6-diamine
CID 3376084
N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-2-carboxamide
CID 52416973
6-N-methyl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,6-diamine
CID 126470202
N-(2,5-dichloropyrimidin-4-yl)-5-methylisoxazol-3-amine
CID 59586795

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine (CID 22540447) is 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine is C=CCNc1ncnc(Nc2cc(C)on2)c1N.
What is the InChIKey of 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine?
The InChIKey is LWXWZZABGXFOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c1-3-4-13-10-9(12)11(15-6-14-10)16-8-5-7(2)18-17-8/h3,5-6H,1,4,12H2,2H3,(H2,13,14,15,16,17).
What are the key properties of 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine?
4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine has a molecular weight of 246.27 g/mol, XLogP of 1.70, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-methyl-1,2-oxazol-3-yl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 22540447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).