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

C20H23N5 — CID 56874413

IUPAC4-(2,6-dimethyl-3-pyridinyl)-N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylpyrimidin-2-amine
SMILESCc1cc(C)nc(CN(C)c2nccc(-c3ccc(C)nc3C)n2)c1
InChIInChI=1S/C20H23N5/c1-13-10-15(3)23-17(11-13)12-25(5)20-21-9-8-19(24-20)18-7-6-14(2)22-16(18)4/h6-11H,12H2,1-5H3
InChIKeyOIVREWMKXIURNX-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.80
Rot. Bonds4

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

4-(2,6-dimethyl-3-pyridinyl)-N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylpyrimidin-2-amine (PubChem CID 56874413) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-(2,6-dimethyl-3-pyridinyl)-N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,6-dimethyl-3-pyridinyl)-N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylpyrimidin-2-amine
PubChem CID56874413
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name4-(2,6-dimethyl-3-pyridinyl)-N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylpyrimidin-2-amine
SMILESCc1cc(C)nc(CN(C)c2nccc(-c3ccc(C)nc3C)n2)c1
InChIInChI=1S/C20H23N5/c1-13-10-15(3)23-17(11-13)12-25(5)20-21-9-8-19(24-20)18-7-6-14(2)22-16(18)4/h6-11H,12H2,1-5H3
InChIKeyOIVREWMKXIURNX-UHFFFAOYSA-N
XLogP3.80
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethyl-3-pyridinyl)-N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(2,6-dimethyl-3-pyridinyl)-N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylpyrimidin-2-amine (CID 56874413) is 4-(2,6-dimethyl-3-pyridinyl)-N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(2,6-dimethyl-3-pyridinyl)-N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(2,6-dimethyl-3-pyridinyl)-N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylpyrimidin-2-amine is Cc1cc(C)nc(CN(C)c2nccc(-c3ccc(C)nc3C)n2)c1.
What is the InChIKey of 4-(2,6-dimethyl-3-pyridinyl)-N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylpyrimidin-2-amine?
The InChIKey is OIVREWMKXIURNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-13-10-15(3)23-17(11-13)12-25(5)20-21-9-8-19(24-20)18-7-6-14(2)22-16(18)4/h6-11H,12H2,1-5H3.
What are the key properties of 4-(2,6-dimethyl-3-pyridinyl)-N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylpyrimidin-2-amine?
4-(2,6-dimethyl-3-pyridinyl)-N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylpyrimidin-2-amine has a molecular weight of 333.44 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethyl-3-pyridinyl)-N-[(4,6-dimethyl-2-pyridinyl)methyl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 56874413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).