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

C18H22N6 — CID 56875463

IUPAC4-(2,6-dimethyl-3-pyridinyl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-2-amine
SMILESCCn1ccnc1CN(C)c1nccc(-c2ccc(C)nc2C)n1
InChIInChI=1S/C18H22N6/c1-5-24-11-10-19-17(24)12-23(4)18-20-9-8-16(22-18)15-7-6-13(2)21-14(15)3/h6-11H,5,12H2,1-4H3
InChIKeyXEXBEXNRFVCRJE-UHFFFAOYSA-N
MW322.42 g/mol
LogP3.01
Rot. Bonds5

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

4-(2,6-dimethyl-3-pyridinyl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-2-amine (PubChem CID 56875463) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is 4-(2,6-dimethyl-3-pyridinyl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,6-dimethyl-3-pyridinyl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-2-amine
PubChem CID56875463
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC Name4-(2,6-dimethyl-3-pyridinyl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-2-amine
SMILESCCn1ccnc1CN(C)c1nccc(-c2ccc(C)nc2C)n1
InChIInChI=1S/C18H22N6/c1-5-24-11-10-19-17(24)12-23(4)18-20-9-8-16(22-18)15-7-6-13(2)21-14(15)3/h6-11H,5,12H2,1-4H3
InChIKeyXEXBEXNRFVCRJE-UHFFFAOYSA-N
XLogP3.01
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.01
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-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(2,6-dimethyl-3-pyridinyl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-2-amine (CID 56875463) is 4-(2,6-dimethyl-3-pyridinyl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,6-dimethyl-3-pyridinyl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2,6-dimethyl-3-pyridinyl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-2-amine is CCn1ccnc1CN(C)c1nccc(-c2ccc(C)nc2C)n1.
What is the InChIKey of 4-(2,6-dimethyl-3-pyridinyl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-2-amine?
The InChIKey is XEXBEXNRFVCRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-5-24-11-10-19-17(24)12-23(4)18-20-9-8-16(22-18)15-7-6-13(2)21-14(15)3/h6-11H,5,12H2,1-4H3.
What are the key properties of 4-(2,6-dimethyl-3-pyridinyl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-2-amine?
4-(2,6-dimethyl-3-pyridinyl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-2-amine has a molecular weight of 322.42 g/mol, XLogP of 3.01, 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-[(1-ethylimidazol-2-yl)methyl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 56875463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).