3-propan-2-yl-6H-pyrido[1,2-a]pyrimidine

C11H14N2 — CID 59283338

IUPAC3-propan-2-yl-6H-pyrido[1,2-a]pyrimidine
SMILESCC(C)C1=CN2CC=CC=C2N=C1
InChIInChI=1S/C11H14N2/c1-9(2)10-7-12-11-5-3-4-6-13(11)8-10/h3-5,7-9H,6H2,1-2H3
InChIKeyLFTXDJBZPNBETN-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.32
Rot. Bonds1

About 3-propan-2-yl-6H-pyrido[1,2-a]pyrimidine

3-propan-2-yl-6H-pyrido[1,2-a]pyrimidine (PubChem CID 59283338) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 3-propan-2-yl-6H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-propan-2-yl-6H-pyrido[1,2-a]pyrimidine
PubChem CID59283338
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name3-propan-2-yl-6H-pyrido[1,2-a]pyrimidine
SMILESCC(C)C1=CN2CC=CC=C2N=C1
InChIInChI=1S/C11H14N2/c1-9(2)10-7-12-11-5-3-4-6-13(11)8-10/h3-5,7-9H,6H2,1-2H3
InChIKeyLFTXDJBZPNBETN-UHFFFAOYSA-N
XLogP2.32
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 3-propan-2-yl-6H-pyrido[1,2-a]pyrimidine (CID 59283338) is 3-propan-2-yl-6H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 3-propan-2-yl-6H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 3-propan-2-yl-6H-pyrido[1,2-a]pyrimidine is CC(C)C1=CN2CC=CC=C2N=C1.
What is the InChIKey of 3-propan-2-yl-6H-pyrido[1,2-a]pyrimidine?
The InChIKey is LFTXDJBZPNBETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-9(2)10-7-12-11-5-3-4-6-13(11)8-10/h3-5,7-9H,6H2,1-2H3.
What are the key properties of 3-propan-2-yl-6H-pyrido[1,2-a]pyrimidine?
3-propan-2-yl-6H-pyrido[1,2-a]pyrimidine has a molecular weight of 174.25 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 59283338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).