4H-pyrido[1,2-a]pyrimidine;pyrimidine

C12H12N4 — CID 162102862

IUPAC4H-pyrido[1,2-a]pyrimidine;pyrimidine
SMILESC1=CC2=NC=CCN2C=C1.c1cncnc1
InChIInChI=1S/C8H8N2.C4H4N2/c1-2-6-10-7-3-5-9-8(10)4-1;1-2-5-4-6-3-1/h1-6H,7H2;1-4H
InChIKeyZFCSEILWJVPZEZ-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.77
Rot. Bonds

About 4H-pyrido[1,2-a]pyrimidine;pyrimidine

4H-pyrido[1,2-a]pyrimidine;pyrimidine (PubChem CID 162102862) has the molecular formula C12H12N4 and a molecular weight of 212.26 g/mol. Its IUPAC name is 4H-pyrido[1,2-a]pyrimidine;pyrimidine.

Molecular Properties

Compound Name4H-pyrido[1,2-a]pyrimidine;pyrimidine
PubChem CID162102862
Molecular FormulaC12H12N4
Molecular Weight212.26 g/mol
Exact Mass212.11
IUPAC Name4H-pyrido[1,2-a]pyrimidine;pyrimidine
SMILESC1=CC2=NC=CCN2C=C1.c1cncnc1
InChIInChI=1S/C8H8N2.C4H4N2/c1-2-6-10-7-3-5-9-8(10)4-1;1-2-5-4-6-3-1/h1-6H,7H2;1-4H
InChIKeyZFCSEILWJVPZEZ-UHFFFAOYSA-N
XLogP1.77
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4H-pyrido[1,2-a]pyrimidine;pyrimidine?
The IUPAC name of 4H-pyrido[1,2-a]pyrimidine;pyrimidine (CID 162102862) is 4H-pyrido[1,2-a]pyrimidine;pyrimidine.
What is the SMILES notation for 4H-pyrido[1,2-a]pyrimidine;pyrimidine?
The canonical SMILES for 4H-pyrido[1,2-a]pyrimidine;pyrimidine is C1=CC2=NC=CCN2C=C1.c1cncnc1.
What is the InChIKey of 4H-pyrido[1,2-a]pyrimidine;pyrimidine?
The InChIKey is ZFCSEILWJVPZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2.C4H4N2/c1-2-6-10-7-3-5-9-8(10)4-1;1-2-5-4-6-3-1/h1-6H,7H2;1-4H.
What are the key properties of 4H-pyrido[1,2-a]pyrimidine;pyrimidine?
4H-pyrido[1,2-a]pyrimidine;pyrimidine has a molecular weight of 212.26 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-pyrido[1,2-a]pyrimidine;pyrimidine is sourced from PubChem (CID 162102862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).