ethane;4-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine

C11H18N2 — CID 178051578

IUPACethane;4-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine
SMILESCC.CC1CCN=C2C=CC=CN21
InChIInChI=1S/C9H12N2.C2H6/c1-8-5-6-10-9-4-2-3-7-11(8)9;1-2/h2-4,7-8H,5-6H2,1H3;1-2H3
InChIKeyVBMSLTDJYIXBOW-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.59
Rot. Bonds

About ethane;4-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine

ethane;4-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine (PubChem CID 178051578) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is ethane;4-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Nameethane;4-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine
PubChem CID178051578
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Nameethane;4-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine
SMILESCC.CC1CCN=C2C=CC=CN21
InChIInChI=1S/C9H12N2.C2H6/c1-8-5-6-10-9-4-2-3-7-11(8)9;1-2/h2-4,7-8H,5-6H2,1H3;1-2H3
InChIKeyVBMSLTDJYIXBOW-UHFFFAOYSA-N
XLogP2.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Pyrido[1,2-a]pyrimidine
CID 20094215
3,4-Dihydro-2h-pyrido[1,2-a]pyrimidine
CID 21111582
4-Methyl-4h-pyrido[1,2-a]pyrimidine
CID 129791993
2-(trifluoromethyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine
CID 91528254
2-(fluoromethyl)-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine
CID 141053132
4-Ethyl-2h-pyrido[1,2-a][1,3,5]triazine-2-selenone
CID 129841378
N,1-di(propan-2-yl)pyridin-2-imine
CID 20601372
2-methyl-4-methylidene-3H-pyrido[1,2-a]pyrimidin-3-ide;yttrium
CID 58148024
2-Methyl-4-methylidenepyrido[1,2-a]pyrimidine
CID 58148025
(3S)-3-ethyl-2,3-dihydroimidazo[1,2-a]pyridine
CID 68357473
6-methyl-4H-pyrido[1,2-a]pyrimidine
CID 89183225
N-ethyl-1-prop-1-en-2-ylpyridin-2-imine
CID 90463805

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine?
The IUPAC name of ethane;4-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine (CID 178051578) is ethane;4-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine.
What is the SMILES notation for ethane;4-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine?
The canonical SMILES for ethane;4-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine is CC.CC1CCN=C2C=CC=CN21.
What is the InChIKey of ethane;4-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine?
The InChIKey is VBMSLTDJYIXBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2.C2H6/c1-8-5-6-10-9-4-2-3-7-11(8)9;1-2/h2-4,7-8H,5-6H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine?
ethane;4-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine has a molecular weight of 178.28 g/mol, XLogP of 2.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 178051578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).