5-(2-pyridin-2-yl-3-pyridinyl)pyrimidine-2,4-diamine

C14H12N6 — CID 175838941

IUPAC5-(2-pyridin-2-yl-3-pyridinyl)pyrimidine-2,4-diamine
SMILESNc1ncc(-c2cccnc2-c2ccccn2)c(N)n1
InChIInChI=1S/C14H12N6/c15-13-10(8-19-14(16)20-13)9-4-3-7-18-12(9)11-5-1-2-6-17-11/h1-8H,(H4,15,16,19,20)
InChIKeyXVZDYDLUSAAFIR-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.76
Rot. Bonds2

About 5-(2-pyridin-2-yl-3-pyridinyl)pyrimidine-2,4-diamine

5-(2-pyridin-2-yl-3-pyridinyl)pyrimidine-2,4-diamine (PubChem CID 175838941) has the molecular formula C14H12N6 and a molecular weight of 264.29 g/mol. Its IUPAC name is 5-(2-pyridin-2-yl-3-pyridinyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(2-pyridin-2-yl-3-pyridinyl)pyrimidine-2,4-diamine
PubChem CID175838941
Molecular FormulaC14H12N6
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name5-(2-pyridin-2-yl-3-pyridinyl)pyrimidine-2,4-diamine
SMILESNc1ncc(-c2cccnc2-c2ccccn2)c(N)n1
InChIInChI=1S/C14H12N6/c15-13-10(8-19-14(16)20-13)9-4-3-7-18-12(9)11-5-1-2-6-17-11/h1-8H,(H4,15,16,19,20)
InChIKeyXVZDYDLUSAAFIR-UHFFFAOYSA-N
XLogP1.76
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-pyridin-2-yl-3-pyridinyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(2-pyridin-2-yl-3-pyridinyl)pyrimidine-2,4-diamine (CID 175838941) is 5-(2-pyridin-2-yl-3-pyridinyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(2-pyridin-2-yl-3-pyridinyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(2-pyridin-2-yl-3-pyridinyl)pyrimidine-2,4-diamine is Nc1ncc(-c2cccnc2-c2ccccn2)c(N)n1.
What is the InChIKey of 5-(2-pyridin-2-yl-3-pyridinyl)pyrimidine-2,4-diamine?
The InChIKey is XVZDYDLUSAAFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6/c15-13-10(8-19-14(16)20-13)9-4-3-7-18-12(9)11-5-1-2-6-17-11/h1-8H,(H4,15,16,19,20).
What are the key properties of 5-(2-pyridin-2-yl-3-pyridinyl)pyrimidine-2,4-diamine?
5-(2-pyridin-2-yl-3-pyridinyl)pyrimidine-2,4-diamine has a molecular weight of 264.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-pyridin-2-yl-3-pyridinyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 175838941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).