2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine

C12H16N4O2 — CID 3233780

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCNc1ccnc(-c2c(C)noc2C)n1
InChIInChI=1S/C12H16N4O2/c1-8-11(9(2)18-16-8)12-14-5-4-10(15-12)13-6-7-17-3/h4-5H,6-7H2,1-3H3,(H,13,14,15)
InChIKeyQTJKHHMWMCAPTG-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.81
Rot. Bonds5

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine (PubChem CID 3233780) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine
PubChem CID3233780
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine
SMILESCOCCNc1ccnc(-c2c(C)noc2C)n1
InChIInChI=1S/C12H16N4O2/c1-8-11(9(2)18-16-8)12-14-5-4-10(15-12)13-6-7-17-3/h4-5H,6-7H2,1-3H3,(H,13,14,15)
InChIKeyQTJKHHMWMCAPTG-UHFFFAOYSA-N
XLogP1.81
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-butyl-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]pyrimidine-2,4-diamine
CID 70856439
3,5-Dimethyl-4-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-1,2-oxazole
CID 3233307
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpyrimidin-4-amine
CID 3233386
4-(4-Imidazol-1-ylpyrimidin-2-yl)-3,5-dimethyl-1,2-oxazole
CID 3234277
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine
CID 3234459
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 3234854
N-cyclopropyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrimidin-4-amine
CID 3235487
4-[2-(3,5-Dimethyl-1,2-oxazol-4-yl)pyrimidin-4-yl]morpholine
CID 3233635
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N-dimethylpyrimidin-4-amine
CID 3233642
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-methylpyrazin-2-yl)methyl]pyrimidin-4-amine
CID 3233765
3,5-Dimethyl-4-(4-piperazin-1-ylpyrimidin-2-yl)-1,2-oxazole
CID 3235556
3,5-Dimethyl-4-pyrimidin-2-yl-1,2-oxazole
CID 44820609

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine (CID 3233780) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine is COCCNc1ccnc(-c2c(C)noc2C)n1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine?
The InChIKey is QTJKHHMWMCAPTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-8-11(9(2)18-16-8)12-14-5-4-10(15-12)13-6-7-17-3/h4-5H,6-7H2,1-3H3,(H,13,14,15).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine has a molecular weight of 248.29 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 3233780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).