[2-[(Z)-3,4-dimethylpent-1-enyl]-4-methyl-4-propan-2-ylpyrimidin-1-yl]methanimine

C16H27N3 — CID 144998032

IUPAC[2-[(Z)-3,4-dimethylpent-1-enyl]-4-methyl-4-propan-2-ylpyrimidin-1-yl]methanimine
SMILES[H]/N=C/N1C=CC(C)(C(C)C)N=C1/C=C\C(C)C(C)C
InChIInChI=1S/C16H27N3/c1-12(2)14(5)7-8-15-18-16(6,13(3)4)9-10-19(15)11-17/h7-14,17H,1-6H3/b8-7-,17-11+
InChIKeyZPQMNECOFHPTOT-IOERDVGBSA-N
MW261.41 g/mol
LogP4.08
Rot. Bonds5

About [2-[(Z)-3,4-dimethylpent-1-enyl]-4-methyl-4-propan-2-ylpyrimidin-1-yl]methanimine

[2-[(Z)-3,4-dimethylpent-1-enyl]-4-methyl-4-propan-2-ylpyrimidin-1-yl]methanimine (PubChem CID 144998032) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is [2-[(Z)-3,4-dimethylpent-1-enyl]-4-methyl-4-propan-2-ylpyrimidin-1-yl]methanimine.

Molecular Properties

Compound Name[2-[(Z)-3,4-dimethylpent-1-enyl]-4-methyl-4-propan-2-ylpyrimidin-1-yl]methanimine
PubChem CID144998032
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name[2-[(Z)-3,4-dimethylpent-1-enyl]-4-methyl-4-propan-2-ylpyrimidin-1-yl]methanimine
SMILES[H]/N=C/N1C=CC(C)(C(C)C)N=C1/C=C\C(C)C(C)C
InChIInChI=1S/C16H27N3/c1-12(2)14(5)7-8-15-18-16(6,13(3)4)9-10-19(15)11-17/h7-14,17H,1-6H3/b8-7-,17-11+
InChIKeyZPQMNECOFHPTOT-IOERDVGBSA-N
XLogP4.08
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze [2-[(Z)-3,4-dimethylpent-1-enyl]-4-methyl-4-propan-2-ylpyrimidin-1-yl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine;ethane
CID 144812695
[2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine;ethane
CID 144997948
[4-methyl-4-propan-2-yl-2-[(Z)-3,4,4-trimethylpent-1-enyl]pyrimidin-1-yl]methanimine
CID 144998076
8-Ethyl-2,8-dimethyl-2-propan-2-ylpyrimido[1,2-a]azepine
CID 146497600
3-[(Z)-but-1-enyl]-N-methyl-6-propan-2-ylpyrimidin-4-imine
CID 169949808
[2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine
CID 144812696
[2-[(Z)-3,4-dimethylpent-1-enyl]-4,4-dimethylpyrimidin-1-yl]methanimine
CID 144997949
2,8-Dimethyl-2,8-di(propan-2-yl)pyrimido[1,2-a]azepine
CID 144997976
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-[(Z)-3,4-dimethylpent-1-enyl]-4-methyl-4-propan-2-ylpyrimidin-1-yl]methanimine?
The IUPAC name of [2-[(Z)-3,4-dimethylpent-1-enyl]-4-methyl-4-propan-2-ylpyrimidin-1-yl]methanimine (CID 144998032) is [2-[(Z)-3,4-dimethylpent-1-enyl]-4-methyl-4-propan-2-ylpyrimidin-1-yl]methanimine.
What is the SMILES notation for [2-[(Z)-3,4-dimethylpent-1-enyl]-4-methyl-4-propan-2-ylpyrimidin-1-yl]methanimine?
The canonical SMILES for [2-[(Z)-3,4-dimethylpent-1-enyl]-4-methyl-4-propan-2-ylpyrimidin-1-yl]methanimine is [H]/N=C/N1C=CC(C)(C(C)C)N=C1/C=C\C(C)C(C)C.
What is the InChIKey of [2-[(Z)-3,4-dimethylpent-1-enyl]-4-methyl-4-propan-2-ylpyrimidin-1-yl]methanimine?
The InChIKey is ZPQMNECOFHPTOT-IOERDVGBSA-N. The full InChI is InChI=1S/C16H27N3/c1-12(2)14(5)7-8-15-18-16(6,13(3)4)9-10-19(15)11-17/h7-14,17H,1-6H3/b8-7-,17-11+.
What are the key properties of [2-[(Z)-3,4-dimethylpent-1-enyl]-4-methyl-4-propan-2-ylpyrimidin-1-yl]methanimine?
[2-[(Z)-3,4-dimethylpent-1-enyl]-4-methyl-4-propan-2-ylpyrimidin-1-yl]methanimine has a molecular weight of 261.41 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(Z)-3,4-dimethylpent-1-enyl]-4-methyl-4-propan-2-ylpyrimidin-1-yl]methanimine is sourced from PubChem (CID 144998032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).