4-methyl-6-pyridin-4-ylpyrimidin-2-amine

C40H40N16 — CID 139145500

IUPAC4-methyl-6-pyridin-4-ylpyrimidin-2-amine
SMILESCc1cc(-c2ccncc2)nc(N)n1.Cc1cc(-c2ccncc2)nc(N)n1.Cc1cc(-c2ccncc2)nc(N)n1.Cc1cc(-c2ccncc2)nc(N)n1
InChIInChI=1S/4C10H10N4/c4*1-7-6-9(14-10(11)13-7)8-2-4-12-5-3-8/h4*2-6H,1H3,(H2,11,13,14)
InChIKeyGIULPAYCXRZDEE-UHFFFAOYSA-N
MW744.87 g/mol
LogP5.72
Rot. Bonds4

About 4-methyl-6-pyridin-4-ylpyrimidin-2-amine

4-methyl-6-pyridin-4-ylpyrimidin-2-amine (PubChem CID 139145500) has the molecular formula C40H40N16 and a molecular weight of 744.87 g/mol. Its IUPAC name is 4-methyl-6-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-pyridin-4-ylpyrimidin-2-amine
PubChem CID139145500
Molecular FormulaC40H40N16
Molecular Weight744.87 g/mol
Exact Mass744.36
IUPAC Name4-methyl-6-pyridin-4-ylpyrimidin-2-amine
SMILESCc1cc(-c2ccncc2)nc(N)n1.Cc1cc(-c2ccncc2)nc(N)n1.Cc1cc(-c2ccncc2)nc(N)n1.Cc1cc(-c2ccncc2)nc(N)n1
InChIInChI=1S/4C10H10N4/c4*1-7-6-9(14-10(11)13-7)8-2-4-12-5-3-8/h4*2-6H,1H3,(H2,11,13,14)
InChIKeyGIULPAYCXRZDEE-UHFFFAOYSA-N
XLogP5.72
TPSA258.76 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500744.87
LogP ≤ 55.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-methyl-6-pyridin-4-ylpyrimidin-2-amine (CID 139145500) is 4-methyl-6-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-pyridin-4-ylpyrimidin-2-amine is Cc1cc(-c2ccncc2)nc(N)n1.Cc1cc(-c2ccncc2)nc(N)n1.Cc1cc(-c2ccncc2)nc(N)n1.Cc1cc(-c2ccncc2)nc(N)n1.
What is the InChIKey of 4-methyl-6-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is GIULPAYCXRZDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C10H10N4/c4*1-7-6-9(14-10(11)13-7)8-2-4-12-5-3-8/h4*2-6H,1H3,(H2,11,13,14).
What are the key properties of 4-methyl-6-pyridin-4-ylpyrimidin-2-amine?
4-methyl-6-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 744.87 g/mol, XLogP of 5.72, 4 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 139145500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).