4-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C12H12N4 — CID 83848903

IUPAC4-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESc1cc(-c2ncnc3c2CCNC3)ccn1
InChIInChI=1S/C12H12N4/c1-4-13-5-2-9(1)12-10-3-6-14-7-11(10)15-8-16-12/h1-2,4-5,8,14H,3,6-7H2
InChIKeyTUQVDPCYNIZUFL-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.18
Rot. Bonds1

About 4-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

4-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 83848903) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 4-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID83848903
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name4-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESc1cc(-c2ncnc3c2CCNC3)ccn1
InChIInChI=1S/C12H12N4/c1-4-13-5-2-9(1)12-10-3-6-14-7-11(10)15-8-16-12/h1-2,4-5,8,14H,3,6-7H2
InChIKeyTUQVDPCYNIZUFL-UHFFFAOYSA-N
XLogP1.18
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 4-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 83848903) is 4-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is c1cc(-c2ncnc3c2CCNC3)ccn1.
What is the InChIKey of 4-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is TUQVDPCYNIZUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4/c1-4-13-5-2-9(1)12-10-3-6-14-7-11(10)15-8-16-12/h1-2,4-5,8,14H,3,6-7H2.
What are the key properties of 4-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
4-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 212.26 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 83848903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).