5-tert-butylpyrido[1,2-c]pyrimidin-1-imine

C12H15N3 — CID 176640659

IUPAC5-tert-butylpyrido[1,2-c]pyrimidin-1-imine
SMILES[H]/N=c1\nccc2c(C(C)(C)C)cccn12
InChIInChI=1S/C12H15N3/c1-12(2,3)9-5-4-8-15-10(9)6-7-14-11(15)13/h4-8,13H,1-3H3/b13-11+
InChIKeyVKKNQEZRYGXGGL-ACCUITESSA-N
MW201.27 g/mol
LogP2.11
Rot. Bonds

About 5-tert-butylpyrido[1,2-c]pyrimidin-1-imine

5-tert-butylpyrido[1,2-c]pyrimidin-1-imine (PubChem CID 176640659) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-tert-butylpyrido[1,2-c]pyrimidin-1-imine.

Molecular Properties

Compound Name5-tert-butylpyrido[1,2-c]pyrimidin-1-imine
PubChem CID176640659
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name5-tert-butylpyrido[1,2-c]pyrimidin-1-imine
SMILES[H]/N=c1\nccc2c(C(C)(C)C)cccn12
InChIInChI=1S/C12H15N3/c1-12(2,3)9-5-4-8-15-10(9)6-7-14-11(15)13/h4-8,13H,1-3H3/b13-11+
InChIKeyVKKNQEZRYGXGGL-ACCUITESSA-N
XLogP2.11
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butylpyrido[1,2-c]pyrimidin-1-imine?
The IUPAC name of 5-tert-butylpyrido[1,2-c]pyrimidin-1-imine (CID 176640659) is 5-tert-butylpyrido[1,2-c]pyrimidin-1-imine.
What is the SMILES notation for 5-tert-butylpyrido[1,2-c]pyrimidin-1-imine?
The canonical SMILES for 5-tert-butylpyrido[1,2-c]pyrimidin-1-imine is [H]/N=c1\nccc2c(C(C)(C)C)cccn12.
What is the InChIKey of 5-tert-butylpyrido[1,2-c]pyrimidin-1-imine?
The InChIKey is VKKNQEZRYGXGGL-ACCUITESSA-N. The full InChI is InChI=1S/C12H15N3/c1-12(2,3)9-5-4-8-15-10(9)6-7-14-11(15)13/h4-8,13H,1-3H3/b13-11+.
What are the key properties of 5-tert-butylpyrido[1,2-c]pyrimidin-1-imine?
5-tert-butylpyrido[1,2-c]pyrimidin-1-imine has a molecular weight of 201.27 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butylpyrido[1,2-c]pyrimidin-1-imine is sourced from PubChem (CID 176640659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).