2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-b]diazepine

C16H25N3 — CID 144812681

IUPAC2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-b]diazepine
SMILESCC(C)C1(C)C=CC2=NC(C)(C(C)C)C=CN2N=C1
InChIInChI=1S/C16H25N3/c1-12(2)15(5)8-7-14-18-16(6,13(3)4)9-10-19(14)17-11-15/h7-13H,1-6H3
InChIKeyPTNLJCGPWHFJTF-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.85
Rot. Bonds2

About 2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-b]diazepine

2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-b]diazepine (PubChem CID 144812681) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-b]diazepine.

Molecular Properties

Compound Name2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-b]diazepine
PubChem CID144812681
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-b]diazepine
SMILESCC(C)C1(C)C=CC2=NC(C)(C(C)C)C=CN2N=C1
InChIInChI=1S/C16H25N3/c1-12(2)15(5)8-7-14-18-16(6,13(3)4)9-10-19(14)17-11-15/h7-13H,1-6H3
InChIKeyPTNLJCGPWHFJTF-UHFFFAOYSA-N
XLogP3.85
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-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
8-Tert-butyl-2,8-dimethyl-2-propan-2-ylpyrimido[1,2-a]azepine;ethane
CID 144998055
8-Ethyl-2,8-dimethyl-2-propan-2-ylpyrimido[1,2-a]azepine
CID 146497600
2,8-Dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-a]azepine
CID 144997976
2-Tert-butyl-2,8,8-trimethylpyrimido[1,2-a]azepine
CID 144997999
2,8,8-Trimethyl-2-propan-2-ylpyrimido[1,2-b]diazepine
CID 144998018
8-Tert-butyl-2,8-dimethyl-2-propan-2-ylpyrimido[1,2-a]azepine
CID 144998056

Frequently Asked Questions

What is the IUPAC name of 2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-b]diazepine?
The IUPAC name of 2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-b]diazepine (CID 144812681) is 2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-b]diazepine.
What is the SMILES notation for 2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-b]diazepine?
The canonical SMILES for 2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-b]diazepine is CC(C)C1(C)C=CC2=NC(C)(C(C)C)C=CN2N=C1.
What is the InChIKey of 2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-b]diazepine?
The InChIKey is PTNLJCGPWHFJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-12(2)15(5)8-7-14-18-16(6,13(3)4)9-10-19(14)17-11-15/h7-13H,1-6H3.
What are the key properties of 2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-b]diazepine?
2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-b]diazepine has a molecular weight of 259.40 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-b]diazepine is sourced from PubChem (CID 144812681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).