2,8,8-trimethyl-2-propan-2-ylpyrimido[1,2-b]diazepine

C14H21N3 — CID 144998018

IUPAC2,8,8-trimethyl-2-propan-2-ylpyrimido[1,2-b]diazepine
SMILESCC(C)C1(C)C=CN2N=CC(C)(C)C=CC2=N1
InChIInChI=1S/C14H21N3/c1-11(2)14(5)8-9-17-12(16-14)6-7-13(3,4)10-15-17/h6-11H,1-5H3
InChIKeyFUUHPMLMPJZAKR-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.21
Rot. Bonds1

About 2,8,8-trimethyl-2-propan-2-ylpyrimido[1,2-b]diazepine

2,8,8-trimethyl-2-propan-2-ylpyrimido[1,2-b]diazepine (PubChem CID 144998018) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2,8,8-trimethyl-2-propan-2-ylpyrimido[1,2-b]diazepine.

Molecular Properties

Compound Name2,8,8-trimethyl-2-propan-2-ylpyrimido[1,2-b]diazepine
PubChem CID144998018
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2,8,8-trimethyl-2-propan-2-ylpyrimido[1,2-b]diazepine
SMILESCC(C)C1(C)C=CN2N=CC(C)(C)C=CC2=N1
InChIInChI=1S/C14H21N3/c1-11(2)14(5)8-9-17-12(16-14)6-7-13(3,4)10-15-17/h6-11H,1-5H3
InChIKeyFUUHPMLMPJZAKR-UHFFFAOYSA-N
XLogP3.21
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-1-[(E)-ethylideneamino]-5,5-dimethyl-N-[(Z)-prop-1-enyl]azepin-2-imine
CID 134400022
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;2,8,8-trimethyl-2-propan-2-ylpyrimido[1,2-b]diazepine
CID 144998017
2-ethenyl-N-methyl-5-propan-2-ylpyridazin-3-imine
CID 163251457
2-ethenyl-N-methyl-6-propan-2-ylpyridazin-3-imine
CID 170747605
N-ethenyl-2-methyl-6-propan-2-ylpyridazin-3-imine
CID 172336897

Frequently Asked Questions

What is the IUPAC name of 2,8,8-trimethyl-2-propan-2-ylpyrimido[1,2-b]diazepine?
The IUPAC name of 2,8,8-trimethyl-2-propan-2-ylpyrimido[1,2-b]diazepine (CID 144998018) is 2,8,8-trimethyl-2-propan-2-ylpyrimido[1,2-b]diazepine.
What is the SMILES notation for 2,8,8-trimethyl-2-propan-2-ylpyrimido[1,2-b]diazepine?
The canonical SMILES for 2,8,8-trimethyl-2-propan-2-ylpyrimido[1,2-b]diazepine is CC(C)C1(C)C=CN2N=CC(C)(C)C=CC2=N1.
What is the InChIKey of 2,8,8-trimethyl-2-propan-2-ylpyrimido[1,2-b]diazepine?
The InChIKey is FUUHPMLMPJZAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-11(2)14(5)8-9-17-12(16-14)6-7-13(3,4)10-15-17/h6-11H,1-5H3.
What are the key properties of 2,8,8-trimethyl-2-propan-2-ylpyrimido[1,2-b]diazepine?
2,8,8-trimethyl-2-propan-2-ylpyrimido[1,2-b]diazepine has a molecular weight of 231.34 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8,8-trimethyl-2-propan-2-ylpyrimido[1,2-b]diazepine is sourced from PubChem (CID 144998018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).