[2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine

C15H25N3 — CID 144812696

IUPAC[2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine
SMILES[H]/N=C/N1C=C(C(C)C)CN=C1/C=C\C(C)C(C)C
InChIInChI=1S/C15H25N3/c1-11(2)13(5)6-7-15-17-8-14(12(3)4)9-18(15)10-16/h6-7,9-13,16H,8H2,1-5H3/b7-6-,16-10+
InChIKeyLGIDFWVYAUAJNM-XVRBRGRQSA-N
MW247.39 g/mol
LogP3.70
Rot. Bonds5

About [2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine

[2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine (PubChem CID 144812696) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is [2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine.

Molecular Properties

Compound Name[2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine
PubChem CID144812696
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name[2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine
SMILES[H]/N=C/N1C=C(C(C)C)CN=C1/C=C\C(C)C(C)C
InChIInChI=1S/C15H25N3/c1-11(2)13(5)6-7-15-17-8-14(12(3)4)9-18(15)10-16/h6-7,9-13,16H,8H2,1-5H3/b7-6-,16-10+
InChIKeyLGIDFWVYAUAJNM-XVRBRGRQSA-N
XLogP3.70
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.70
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]-5-propan-2-yl-4H-pyrimidin-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
[2-[(Z)-3,4-dimethylpent-1-enyl]-4-methyl-4-propan-2-ylpyrimidin-1-yl]methanimine
CID 144998032
[4-methyl-4-propan-2-yl-2-[(Z)-3,4,4-trimethylpent-1-enyl]pyrimidin-1-yl]methanimine
CID 144998076
1-Methanimidoyl-4-propan-2-ylpyridin-2-imine
CID 145187981
Ethane;5-ethyl-1-methanimidoylpyridin-2-imine
CID 145188459
(E)-N-iodo-1-methanimidoyl-5-propan-2-ylpyridin-2-imine
CID 163219075
Carbanide;1-methanimidoyl-5-propan-2-ylpyridin-2-imine;rubidium(1+)
CID 163219092
Carbanide;1-methanimidoyl-4-propan-2-ylpyridin-2-imine;rubidium(1+)
CID 163219188
ethane;4-propan-2-yl-1-[(Z)-prop-1-enyl]pyridin-2-imine
CID 168190456
Ethane;1-methanimidoyl-5-propan-2-ylpyridin-2-imine
CID 168257723
1-ethyl-N-methyl-5-propan-2-ylpyridin-2-imine
CID 170109273

Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine?
The IUPAC name of [2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine (CID 144812696) is [2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine.
What is the SMILES notation for [2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine?
The canonical SMILES for [2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine is [H]/N=C/N1C=C(C(C)C)CN=C1/C=C\C(C)C(C)C.
What is the InChIKey of [2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine?
The InChIKey is LGIDFWVYAUAJNM-XVRBRGRQSA-N. The full InChI is InChI=1S/C15H25N3/c1-11(2)13(5)6-7-15-17-8-14(12(3)4)9-18(15)10-16/h6-7,9-13,16H,8H2,1-5H3/b7-6-,16-10+.
What are the key properties of [2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine?
[2-[(Z)-3,4-dimethylpent-1-enyl]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine has a molecular weight of 247.39 g/mol, XLogP of 3.70, 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]-5-propan-2-yl-4H-pyrimidin-1-yl]methanimine is sourced from PubChem (CID 144812696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).