N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-3-ylpyrimidin-4-amine

C20H17N7 — CID 5066793

IUPACN-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-3-ylpyrimidin-4-amine
SMILESCc1cnc(CNc2cc(-c3cccnc3)nc(-c3cccnc3)n2)nc1
InChIInChI=1S/C20H17N7/c1-14-9-23-19(24-10-14)13-25-18-8-17(15-4-2-6-21-11-15)26-20(27-18)16-5-3-7-22-12-16/h2-12H,13H2,1H3,(H,25,26,27)
InChIKeyKSPCOVNNZDRZHZ-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.31
Rot. Bonds5

About N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-3-ylpyrimidin-4-amine

N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-3-ylpyrimidin-4-amine (PubChem CID 5066793) 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-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-3-ylpyrimidin-4-amine
PubChem CID5066793
Molecular FormulaC20H17N7
Molecular Weight355.41 g/mol
Exact Mass355.15
IUPAC NameN-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-3-ylpyrimidin-4-amine
SMILESCc1cnc(CNc2cc(-c3cccnc3)nc(-c3cccnc3)n2)nc1
InChIInChI=1S/C20H17N7/c1-14-9-23-19(24-10-14)13-25-18-8-17(15-4-2-6-21-11-15)26-20(27-18)16-5-3-7-22-12-16/h2-12H,13H2,1H3,(H,25,26,27)
InChIKeyKSPCOVNNZDRZHZ-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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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-3-ylpyrimidin-4-amine (CID 5066793) is N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-3-ylpyrimidin-4-amine is Cc1cnc(CNc2cc(-c3cccnc3)nc(-c3cccnc3)n2)nc1.
What is the InChIKey of N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-3-ylpyrimidin-4-amine?
The InChIKey is KSPCOVNNZDRZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N7/c1-14-9-23-19(24-10-14)13-25-18-8-17(15-4-2-6-21-11-15)26-20(27-18)16-5-3-7-22-12-16/h2-12H,13H2,1H3,(H,25,26,27).
What are the key properties of N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-3-ylpyrimidin-4-amine?
N-[(5-methylpyrimidin-2-yl)methyl]-2,6-dipyridin-3-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-3-ylpyrimidin-4-amine is sourced from PubChem (CID 5066793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).