5,6-ditert-butyl-1H-pyrido[1,2-c]pyrimidine

C16H24N2 — CID 155403597

IUPAC5,6-ditert-butyl-1H-pyrido[1,2-c]pyrimidine
SMILESCC(C)(C)C1=C(C(C)(C)C)C2=CC=NCN2C=C1
InChIInChI=1S/C16H24N2/c1-15(2,3)12-8-10-18-11-17-9-7-13(18)14(12)16(4,5)6/h7-10H,11H2,1-6H3
InChIKeyAMSFUDSNDVXBRC-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.13
Rot. Bonds

About 5,6-ditert-butyl-1H-pyrido[1,2-c]pyrimidine

5,6-ditert-butyl-1H-pyrido[1,2-c]pyrimidine (PubChem CID 155403597) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 5,6-ditert-butyl-1H-pyrido[1,2-c]pyrimidine.

Molecular Properties

Compound Name5,6-ditert-butyl-1H-pyrido[1,2-c]pyrimidine
PubChem CID155403597
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name5,6-ditert-butyl-1H-pyrido[1,2-c]pyrimidine
SMILESCC(C)(C)C1=C(C(C)(C)C)C2=CC=NCN2C=C1
InChIInChI=1S/C16H24N2/c1-15(2,3)12-8-10-18-11-17-9-7-13(18)14(12)16(4,5)6/h7-10H,11H2,1-6H3
InChIKeyAMSFUDSNDVXBRC-UHFFFAOYSA-N
XLogP4.13
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-1H-pyrido[1,2-c]pyrimidine?
The IUPAC name of 5,6-ditert-butyl-1H-pyrido[1,2-c]pyrimidine (CID 155403597) is 5,6-ditert-butyl-1H-pyrido[1,2-c]pyrimidine.
What is the SMILES notation for 5,6-ditert-butyl-1H-pyrido[1,2-c]pyrimidine?
The canonical SMILES for 5,6-ditert-butyl-1H-pyrido[1,2-c]pyrimidine is CC(C)(C)C1=C(C(C)(C)C)C2=CC=NCN2C=C1.
What is the InChIKey of 5,6-ditert-butyl-1H-pyrido[1,2-c]pyrimidine?
The InChIKey is AMSFUDSNDVXBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-15(2,3)12-8-10-18-11-17-9-7-13(18)14(12)16(4,5)6/h7-10H,11H2,1-6H3.
What are the key properties of 5,6-ditert-butyl-1H-pyrido[1,2-c]pyrimidine?
5,6-ditert-butyl-1H-pyrido[1,2-c]pyrimidine has a molecular weight of 244.38 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-1H-pyrido[1,2-c]pyrimidine is sourced from PubChem (CID 155403597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).