N-(2-methoxyethyl)-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine

C19H22N4O2 — CID 16682033

IUPACN-(2-methoxyethyl)-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine
SMILESCOCCNc1nc(-c2cc(-c3ccccc3)on2)cc(C(C)C)n1
InChIInChI=1S/C19H22N4O2/c1-13(2)15-11-16(22-19(21-15)20-9-10-24-3)17-12-18(25-23-17)14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3,(H,20,21,22)
InChIKeyYXKQAVMSWORRCI-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.98
Rot. Bonds7

About N-(2-methoxyethyl)-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine

N-(2-methoxyethyl)-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine (PubChem CID 16682033) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine
PubChem CID16682033
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(2-methoxyethyl)-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine
SMILESCOCCNc1nc(-c2cc(-c3ccccc3)on2)cc(C(C)C)n1
InChIInChI=1S/C19H22N4O2/c1-13(2)15-11-16(22-19(21-15)20-9-10-24-3)17-12-18(25-23-17)14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3,(H,20,21,22)
InChIKeyYXKQAVMSWORRCI-UHFFFAOYSA-N
XLogP3.98
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.98
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine (CID 16682033) is N-(2-methoxyethyl)-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine is COCCNc1nc(-c2cc(-c3ccccc3)on2)cc(C(C)C)n1.
What is the InChIKey of N-(2-methoxyethyl)-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine?
The InChIKey is YXKQAVMSWORRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13(2)15-11-16(22-19(21-15)20-9-10-24-3)17-12-18(25-23-17)14-7-5-4-6-8-14/h4-8,11-13H,9-10H2,1-3H3,(H,20,21,22).
What are the key properties of N-(2-methoxyethyl)-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine?
N-(2-methoxyethyl)-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine has a molecular weight of 338.41 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(5-phenyl-1,2-oxazol-3-yl)-6-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 16682033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).