(Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine

C14H25N3 — CID 121329883

IUPAC(Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine
SMILESCCCCNCC/C=C\N1CN=C(C)C=C1C
InChIInChI=1S/C14H25N3/c1-4-5-8-15-9-6-7-10-17-12-16-13(2)11-14(17)3/h7,10-11,15H,4-6,8-9,12H2,1-3H3/b10-7-
InChIKeyMCXODCJAIHJDBW-YFHOEESVSA-N
MW235.38 g/mol
LogP2.92
Rot. Bonds7

About (Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine

(Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine (PubChem CID 121329883) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is (Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine.

Molecular Properties

Compound Name(Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine
PubChem CID121329883
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name(Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine
SMILESCCCCNCC/C=C\N1CN=C(C)C=C1C
InChIInChI=1S/C14H25N3/c1-4-5-8-15-9-6-7-10-17-12-16-13(2)11-14(17)3/h7,10-11,15H,4-6,8-9,12H2,1-3H3/b10-7-
InChIKeyMCXODCJAIHJDBW-YFHOEESVSA-N
XLogP2.92
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine?
The IUPAC name of (Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine (CID 121329883) is (Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine.
What is the SMILES notation for (Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine?
The canonical SMILES for (Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine is CCCCNCC/C=C\N1CN=C(C)C=C1C.
What is the InChIKey of (Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine?
The InChIKey is MCXODCJAIHJDBW-YFHOEESVSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-5-8-15-9-6-7-10-17-12-16-13(2)11-14(17)3/h7,10-11,15H,4-6,8-9,12H2,1-3H3/b10-7-.
What are the key properties of (Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine?
(Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine has a molecular weight of 235.38 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butyl-4-(4,6-dimethyl-2H-pyrimidin-1-yl)but-3-en-1-amine is sourced from PubChem (CID 121329883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).