2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-a]azepine

C17H26N2 — CID 144997976

IUPAC2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-a]azepine
SMILESCC(C)C1(C)C=CC2=NC(C)(C(C)C)C=CN2C=C1
InChIInChI=1S/C17H26N2/c1-13(2)16(5)8-7-15-18-17(6,14(3)4)10-12-19(15)11-9-16/h7-14H,1-6H3
InChIKeyPMMBYONSGDWYCJ-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.37
Rot. Bonds2

About 2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-a]azepine

2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-a]azepine (PubChem CID 144997976) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-a]azepine.

Molecular Properties

Compound Name2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-a]azepine
PubChem CID144997976
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-a]azepine
SMILESCC(C)C1(C)C=CC2=NC(C)(C(C)C)C=CN2C=C1
InChIInChI=1S/C17H26N2/c1-13(2)16(5)8-7-15-18-17(6,14(3)4)10-12-19(15)11-9-16/h7-14H,1-6H3
InChIKeyPMMBYONSGDWYCJ-UHFFFAOYSA-N
XLogP4.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,8-Dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-b]diazepine;ethane
CID 144812680
2,8-Dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-b]diazepine
CID 144812681
ethane;5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine
CID 144812822
[2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine;ethane
CID 144997948
Ethane;2-ethyl-2,8-dimethyl-8-propan-2-ylpyrimido[1,2-a][1,4]diazepine
CID 144997961
2,8-Dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-a]azepine;ethane
CID 144997975
2-Tert-butyl-2,8,8-trimethylpyrimido[1,2-a]azepine;2-methylpropane
CID 144997998
Ethane;2,8,8-trimethyl-2-propan-2-ylpyrimido[1,2-b]diazepine
CID 144998017
[2-[(Z)-3,4-dimethylpent-1-enyl]-4-methyl-4-propan-2-ylpyrimidin-1-yl]methanimine
CID 144998032
8-Tert-butyl-2,8-dimethyl-2-propan-2-ylpyrimido[1,2-a]azepine;ethane
CID 144998055
[4-methyl-4-propan-2-yl-2-[(Z)-3,4,4-trimethylpent-1-enyl]pyrimidin-1-yl]methanimine
CID 144998076
Ethane;2,8,8-trimethyl-2-propan-2-ylpyrimido[1,2-a][1,4]diazepine
CID 144998077

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-a]azepine?
The IUPAC name of 2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-a]azepine (CID 144997976) is 2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-a]azepine.
What is the SMILES notation for 2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-a]azepine?
The canonical SMILES for 2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-a]azepine is CC(C)C1(C)C=CC2=NC(C)(C(C)C)C=CN2C=C1.
What is the InChIKey of 2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-a]azepine?
The InChIKey is PMMBYONSGDWYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13(2)16(5)8-7-15-18-17(6,14(3)4)10-12-19(15)11-9-16/h7-14H,1-6H3.
What are the key properties of 2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-a]azepine?
2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-a]azepine has a molecular weight of 258.41 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-a]azepine is sourced from PubChem (CID 144997976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).