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

C12H16N2 — CID 166819117

IUPAC3-methyl-6-propan-2-yl-2H-pyrido[1,2-a]pyrimidine
SMILESCC1=CN2C(C(C)C)=CC=CC2=NC1
InChIInChI=1S/C12H16N2/c1-9(2)11-5-4-6-12-13-7-10(3)8-14(11)12/h4-6,8-9H,7H2,1-3H3
InChIKeyKQRKOENKASKBMA-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.71
Rot. Bonds1

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

3-methyl-6-propan-2-yl-2H-pyrido[1,2-a]pyrimidine (PubChem CID 166819117) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-methyl-6-propan-2-yl-2H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-methyl-6-propan-2-yl-2H-pyrido[1,2-a]pyrimidine
PubChem CID166819117
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name3-methyl-6-propan-2-yl-2H-pyrido[1,2-a]pyrimidine
SMILESCC1=CN2C(C(C)C)=CC=CC2=NC1
InChIInChI=1S/C12H16N2/c1-9(2)11-5-4-6-12-13-7-10(3)8-14(11)12/h4-6,8-9H,7H2,1-3H3
InChIKeyKQRKOENKASKBMA-UHFFFAOYSA-N
XLogP2.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
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 3-methyl-6-propan-2-yl-2H-pyrido[1,2-a]pyrimidine?
The IUPAC name of 3-methyl-6-propan-2-yl-2H-pyrido[1,2-a]pyrimidine (CID 166819117) is 3-methyl-6-propan-2-yl-2H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 3-methyl-6-propan-2-yl-2H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for 3-methyl-6-propan-2-yl-2H-pyrido[1,2-a]pyrimidine is CC1=CN2C(C(C)C)=CC=CC2=NC1.
What is the InChIKey of 3-methyl-6-propan-2-yl-2H-pyrido[1,2-a]pyrimidine?
The InChIKey is KQRKOENKASKBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9(2)11-5-4-6-12-13-7-10(3)8-14(11)12/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 3-methyl-6-propan-2-yl-2H-pyrido[1,2-a]pyrimidine?
3-methyl-6-propan-2-yl-2H-pyrido[1,2-a]pyrimidine has a molecular weight of 188.27 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propan-2-yl-2H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 166819117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).