4-(2,6-dimethyl-3-pyridinyl)-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]pyrimidin-2-amine

C18H21N5O — CID 56861803

IUPAC4-(2,6-dimethyl-3-pyridinyl)-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]pyrimidin-2-amine
SMILESCCc1cc(C(C)Nc2nccc(-c3ccc(C)nc3C)n2)on1
InChIInChI=1S/C18H21N5O/c1-5-14-10-17(24-23-14)13(4)21-18-19-9-8-16(22-18)15-7-6-11(2)20-12(15)3/h6-10,13H,5H2,1-4H3,(H,19,21,22)
InChIKeyYXXGURKXAVGEKX-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.88
Rot. Bonds5

About 4-(2,6-dimethyl-3-pyridinyl)-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]pyrimidin-2-amine

4-(2,6-dimethyl-3-pyridinyl)-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]pyrimidin-2-amine (PubChem CID 56861803) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 4-(2,6-dimethyl-3-pyridinyl)-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,6-dimethyl-3-pyridinyl)-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]pyrimidin-2-amine
PubChem CID56861803
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-(2,6-dimethyl-3-pyridinyl)-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]pyrimidin-2-amine
SMILESCCc1cc(C(C)Nc2nccc(-c3ccc(C)nc3C)n2)on1
InChIInChI=1S/C18H21N5O/c1-5-14-10-17(24-23-14)13(4)21-18-19-9-8-16(22-18)15-7-6-11(2)20-12(15)3/h6-10,13H,5H2,1-4H3,(H,19,21,22)
InChIKeyYXXGURKXAVGEKX-UHFFFAOYSA-N
XLogP3.88
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2,6-dimethyl-3-pyridinyl)-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-3-pyridinyl)-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-(2,6-dimethyl-3-pyridinyl)-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]pyrimidin-2-amine (CID 56861803) is 4-(2,6-dimethyl-3-pyridinyl)-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-(2,6-dimethyl-3-pyridinyl)-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-(2,6-dimethyl-3-pyridinyl)-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]pyrimidin-2-amine is CCc1cc(C(C)Nc2nccc(-c3ccc(C)nc3C)n2)on1.
What is the InChIKey of 4-(2,6-dimethyl-3-pyridinyl)-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]pyrimidin-2-amine?
The InChIKey is YXXGURKXAVGEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-5-14-10-17(24-23-14)13(4)21-18-19-9-8-16(22-18)15-7-6-11(2)20-12(15)3/h6-10,13H,5H2,1-4H3,(H,19,21,22).
What are the key properties of 4-(2,6-dimethyl-3-pyridinyl)-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]pyrimidin-2-amine?
4-(2,6-dimethyl-3-pyridinyl)-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]pyrimidin-2-amine has a molecular weight of 323.40 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-3-pyridinyl)-N-[1-(3-ethyl-1,2-oxazol-5-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 56861803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).