3,4-ditert-butyl-8H-pyrido[1,2-c]pyrimidine

C16H24N2 — CID 155403605

IUPAC3,4-ditert-butyl-8H-pyrido[1,2-c]pyrimidine
SMILESCC(C)(C)C1=C(C(C)(C)C)C2=CC=CCN2C=N1
InChIInChI=1S/C16H24N2/c1-15(2,3)13-12-9-7-8-10-18(12)11-17-14(13)16(4,5)6/h7-9,11H,10H2,1-6H3
InChIKeyALDHSQCBXNKBJT-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.13
Rot. Bonds

About 3,4-ditert-butyl-8H-pyrido[1,2-c]pyrimidine

3,4-ditert-butyl-8H-pyrido[1,2-c]pyrimidine (PubChem CID 155403605) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3,4-ditert-butyl-8H-pyrido[1,2-c]pyrimidine.

Molecular Properties

Compound Name3,4-ditert-butyl-8H-pyrido[1,2-c]pyrimidine
PubChem CID155403605
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3,4-ditert-butyl-8H-pyrido[1,2-c]pyrimidine
SMILESCC(C)(C)C1=C(C(C)(C)C)C2=CC=CCN2C=N1
InChIInChI=1S/C16H24N2/c1-15(2,3)13-12-9-7-8-10-18(12)11-17-14(13)16(4,5)6/h7-9,11H,10H2,1-6H3
InChIKeyALDHSQCBXNKBJT-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 3,4-ditert-butyl-8H-pyrido[1,2-c]pyrimidine?
The IUPAC name of 3,4-ditert-butyl-8H-pyrido[1,2-c]pyrimidine (CID 155403605) is 3,4-ditert-butyl-8H-pyrido[1,2-c]pyrimidine.
What is the SMILES notation for 3,4-ditert-butyl-8H-pyrido[1,2-c]pyrimidine?
The canonical SMILES for 3,4-ditert-butyl-8H-pyrido[1,2-c]pyrimidine is CC(C)(C)C1=C(C(C)(C)C)C2=CC=CCN2C=N1.
What is the InChIKey of 3,4-ditert-butyl-8H-pyrido[1,2-c]pyrimidine?
The InChIKey is ALDHSQCBXNKBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-15(2,3)13-12-9-7-8-10-18(12)11-17-14(13)16(4,5)6/h7-9,11H,10H2,1-6H3.
What are the key properties of 3,4-ditert-butyl-8H-pyrido[1,2-c]pyrimidine?
3,4-ditert-butyl-8H-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 3,4-ditert-butyl-8H-pyrido[1,2-c]pyrimidine is sourced from PubChem (CID 155403605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).