8-tert-butyl-4H-pyrido[1,2-a]pyrimidine

C12H16N2 — CID 172500551

IUPAC8-tert-butyl-4H-pyrido[1,2-a]pyrimidine
SMILESCC(C)(C)C1=CC2=NC=CCN2C=C1
InChIInChI=1S/C12H16N2/c1-12(2,3)10-5-8-14-7-4-6-13-11(14)9-10/h4-6,8-9H,7H2,1-3H3
InChIKeyOJFLZHCRTNMEGD-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.71
Rot. Bonds

About 8-tert-butyl-4H-pyrido[1,2-a]pyrimidine

8-tert-butyl-4H-pyrido[1,2-a]pyrimidine (PubChem CID 172500551) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 8-tert-butyl-4H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name8-tert-butyl-4H-pyrido[1,2-a]pyrimidine
PubChem CID172500551
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name8-tert-butyl-4H-pyrido[1,2-a]pyrimidine
SMILESCC(C)(C)C1=CC2=NC=CCN2C=C1
InChIInChI=1S/C12H16N2/c1-12(2,3)10-5-8-14-7-4-6-13-11(14)9-10/h4-6,8-9H,7H2,1-3H3
InChIKeyOJFLZHCRTNMEGD-UHFFFAOYSA-N
XLogP2.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-4H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 8-tert-butyl-4H-pyrido[1,2-a]pyrimidine (CID 172500551) is 8-tert-butyl-4H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 8-tert-butyl-4H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 8-tert-butyl-4H-pyrido[1,2-a]pyrimidine is CC(C)(C)C1=CC2=NC=CCN2C=C1.
What is the InChIKey of 8-tert-butyl-4H-pyrido[1,2-a]pyrimidine?
The InChIKey is OJFLZHCRTNMEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-12(2,3)10-5-8-14-7-4-6-13-11(14)9-10/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 8-tert-butyl-4H-pyrido[1,2-a]pyrimidine?
8-tert-butyl-4H-pyrido[1,2-a]pyrimidine has a molecular weight of 188.27 g/mol, XLogP of 2.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-4H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 172500551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).