6-[(E)-2-pyridin-2-ylethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine

C14H12N6 — CID 19754098

IUPAC6-[(E)-2-pyridin-2-ylethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2cc(/C=C/c3ccccn3)cnc2n1
InChIInChI=1S/C14H12N6/c15-12-11-7-9(4-5-10-3-1-2-6-17-10)8-18-13(11)20-14(16)19-12/h1-8H,(H4,15,16,18,19,20)/b5-4+
InChIKeyJIBUSMCYIOJTHL-SNAWJCMRSA-N
MW264.29 g/mol
LogP1.75
Rot. Bonds2

About 6-[(E)-2-pyridin-2-ylethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine

6-[(E)-2-pyridin-2-ylethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 19754098) has the molecular formula C14H12N6 and a molecular weight of 264.29 g/mol. Its IUPAC name is 6-[(E)-2-pyridin-2-ylethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(E)-2-pyridin-2-ylethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID19754098
Molecular FormulaC14H12N6
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name6-[(E)-2-pyridin-2-ylethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine
SMILESNc1nc(N)c2cc(/C=C/c3ccccn3)cnc2n1
InChIInChI=1S/C14H12N6/c15-12-11-7-9(4-5-10-3-1-2-6-17-10)8-18-13(11)20-14(16)19-12/h1-8H,(H4,15,16,18,19,20)/b5-4+
InChIKeyJIBUSMCYIOJTHL-SNAWJCMRSA-N
XLogP1.75
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 ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-pyridin-2-ylethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-[(E)-2-pyridin-2-ylethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine (CID 19754098) is 6-[(E)-2-pyridin-2-ylethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(E)-2-pyridin-2-ylethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[(E)-2-pyridin-2-ylethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine is Nc1nc(N)c2cc(/C=C/c3ccccn3)cnc2n1.
What is the InChIKey of 6-[(E)-2-pyridin-2-ylethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is JIBUSMCYIOJTHL-SNAWJCMRSA-N. The full InChI is InChI=1S/C14H12N6/c15-12-11-7-9(4-5-10-3-1-2-6-17-10)8-18-13(11)20-14(16)19-12/h1-8H,(H4,15,16,18,19,20)/b5-4+.
What are the key properties of 6-[(E)-2-pyridin-2-ylethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine?
6-[(E)-2-pyridin-2-ylethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 264.29 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-pyridin-2-ylethenyl]pyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 19754098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).