N-(2-methoxyethyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-amine

C16H17N5O2 — CID 95803036

IUPACN-(2-methoxyethyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-amine
SMILESCOCCNc1ncc(-c2cc(C)no2)c(-c2ccncc2)n1
InChIInChI=1S/C16H17N5O2/c1-11-9-14(23-21-11)13-10-19-16(18-7-8-22-2)20-15(13)12-3-5-17-6-4-12/h3-6,9-10H,7-8H2,1-2H3,(H,18,19,20)
InChIKeyPBWDBGFXHHJWQS-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.56
Rot. Bonds6

About N-(2-methoxyethyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-amine

N-(2-methoxyethyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-amine (PubChem CID 95803036) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-amine
PubChem CID95803036
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC NameN-(2-methoxyethyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-amine
SMILESCOCCNc1ncc(-c2cc(C)no2)c(-c2ccncc2)n1
InChIInChI=1S/C16H17N5O2/c1-11-9-14(23-21-11)13-10-19-16(18-7-8-22-2)20-15(13)12-3-5-17-6-4-12/h3-6,9-10H,7-8H2,1-2H3,(H,18,19,20)
InChIKeyPBWDBGFXHHJWQS-UHFFFAOYSA-N
XLogP2.56
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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)-5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of N-(2-methoxyethyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-amine (CID 95803036) is N-(2-methoxyethyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-amine is COCCNc1ncc(-c2cc(C)no2)c(-c2ccncc2)n1.
What is the InChIKey of N-(2-methoxyethyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is PBWDBGFXHHJWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-11-9-14(23-21-11)13-10-19-16(18-7-8-22-2)20-15(13)12-3-5-17-6-4-12/h3-6,9-10H,7-8H2,1-2H3,(H,18,19,20).
What are the key properties of N-(2-methoxyethyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-amine?
N-(2-methoxyethyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 311.35 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 95803036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).