N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-2-ylpyrimidin-4-amine

C20H17N7 — CID 3262159

IUPACN-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-2-ylpyrimidin-4-amine
SMILESCc1cnc(CNc2cc(-c3ccccn3)nc(-c3ccccn3)n2)nc1
InChIInChI=1S/C20H17N7/c1-14-11-23-19(24-12-14)13-25-18-10-17(15-6-2-4-8-21-15)26-20(27-18)16-7-3-5-9-22-16/h2-12H,13H2,1H3,(H,25,26,27)
InChIKeyWUEZAPUAZHFQEQ-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.31
Rot. Bonds5

About N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-2-ylpyrimidin-4-amine

N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-2-ylpyrimidin-4-amine (PubChem CID 3262159) has the molecular formula C20H17N7 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-2-ylpyrimidin-4-amine
PubChem CID3262159
Molecular FormulaC20H17N7
Molecular Weight355.41 g/mol
Exact Mass355.15
IUPAC NameN-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-2-ylpyrimidin-4-amine
SMILESCc1cnc(CNc2cc(-c3ccccn3)nc(-c3ccccn3)n2)nc1
InChIInChI=1S/C20H17N7/c1-14-11-23-19(24-12-14)13-25-18-10-17(15-6-2-4-8-21-15)26-20(27-18)16-7-3-5-9-22-16/h2-12H,13H2,1H3,(H,25,26,27)
InChIKeyWUEZAPUAZHFQEQ-UHFFFAOYSA-N
XLogP3.31
TPSA89.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Enasidenib
CID 89683805
Amprolium Hydrochloride
CID 8732
2,4,6-Tris(2'-pyridyl)-1,3,5-triazine
CID 77258
Amprolium
CID 73341
Amprolium ion
CID 2178
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
Tt-301
CID 54576073
2-isopropyl-7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluoromethyl)pyridin-2-yl)-6,7,8,9-tetrahydro-5H-pyrimido[5,4-d]azepin-4-amine
CID 52949700
Sri-9439
CID 446752
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328376
Cyclohexyl-(4-(1-piperazin-1-yl(2,6)naphthyridin-3-yl)pyridin-2-yl)amine
CID 25020250
Pik-iii
CID 67983123

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-2-ylpyrimidin-4-amine (CID 3262159) is N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-2-ylpyrimidin-4-amine is Cc1cnc(CNc2cc(-c3ccccn3)nc(-c3ccccn3)n2)nc1.
What is the InChIKey of N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-2-ylpyrimidin-4-amine?
The InChIKey is WUEZAPUAZHFQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7/c1-14-11-23-19(24-12-14)13-25-18-10-17(15-6-2-4-8-21-15)26-20(27-18)16-7-3-5-9-22-16/h2-12H,13H2,1H3,(H,25,26,27).
What are the key properties of N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-2-ylpyrimidin-4-amine?
N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-2-ylpyrimidin-4-amine has a molecular weight of 355.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 3262159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).