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

C18H21N5O — CID 56880997

IUPAC4-(2,6-dimethyl-3-pyridinyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylpyrimidin-2-amine
SMILESCCc1cc(CN(C)c2nccc(-c3ccc(C)nc3C)n2)on1
InChIInChI=1S/C18H21N5O/c1-5-14-10-15(24-22-14)11-23(4)18-19-9-8-17(21-18)16-7-6-12(2)20-13(16)3/h6-10H,5,11H2,1-4H3
InChIKeyNQHBLWVBWSBKRX-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.34
Rot. Bonds5

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

4-(2,6-dimethyl-3-pyridinyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylpyrimidin-2-amine (PubChem CID 56880997) 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-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,6-dimethyl-3-pyridinyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylpyrimidin-2-amine
PubChem CID56880997
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name4-(2,6-dimethyl-3-pyridinyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylpyrimidin-2-amine
SMILESCCc1cc(CN(C)c2nccc(-c3ccc(C)nc3C)n2)on1
InChIInChI=1S/C18H21N5O/c1-5-14-10-15(24-22-14)11-23(4)18-19-9-8-17(21-18)16-7-6-12(2)20-13(16)3/h6-10H,5,11H2,1-4H3
InChIKeyNQHBLWVBWSBKRX-UHFFFAOYSA-N
XLogP3.34
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-3-pyridinyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(2,6-dimethyl-3-pyridinyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylpyrimidin-2-amine (CID 56880997) is 4-(2,6-dimethyl-3-pyridinyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,6-dimethyl-3-pyridinyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2,6-dimethyl-3-pyridinyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylpyrimidin-2-amine is CCc1cc(CN(C)c2nccc(-c3ccc(C)nc3C)n2)on1.
What is the InChIKey of 4-(2,6-dimethyl-3-pyridinyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylpyrimidin-2-amine?
The InChIKey is NQHBLWVBWSBKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-5-14-10-15(24-22-14)11-23(4)18-19-9-8-17(21-18)16-7-6-12(2)20-13(16)3/h6-10H,5,11H2,1-4H3.
What are the key properties of 4-(2,6-dimethyl-3-pyridinyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylpyrimidin-2-amine?
4-(2,6-dimethyl-3-pyridinyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylpyrimidin-2-amine has a molecular weight of 323.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-3-pyridinyl)-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 56880997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).