4-but-2-enyl-5-methylidene-4H-pyrimidine

C9H12N2 — CID 123267022

IUPAC4-but-2-enyl-5-methylidene-4H-pyrimidine
SMILESC=C1C=NC=NC1CC=CC
InChIInChI=1S/C9H12N2/c1-3-4-5-9-8(2)6-10-7-11-9/h3-4,6-7,9H,2,5H2,1H3
InChIKeyVDLUUFZWSJJACT-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.99
Rot. Bonds2

About 4-but-2-enyl-5-methylidene-4H-pyrimidine

4-but-2-enyl-5-methylidene-4H-pyrimidine (PubChem CID 123267022) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 4-but-2-enyl-5-methylidene-4H-pyrimidine.

Molecular Properties

Compound Name4-but-2-enyl-5-methylidene-4H-pyrimidine
PubChem CID123267022
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name4-but-2-enyl-5-methylidene-4H-pyrimidine
SMILESC=C1C=NC=NC1CC=CC
InChIInChI=1S/C9H12N2/c1-3-4-5-9-8(2)6-10-7-11-9/h3-4,6-7,9H,2,5H2,1H3
InChIKeyVDLUUFZWSJJACT-UHFFFAOYSA-N
XLogP1.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N',3-dimethyl-N-methylidene-2,3-dihydropyridine-5-carboximidamide
CID 68309209
2-Prop-1-en-2-yl-2,3-dihydropyridine
CID 70308527
(5E)-5-[(Z)-but-2-enylidene]-4-propan-2-ylidenepyrimidine
CID 89385025
5-Methyl-2-prop-2-enyl-2,3-dihydropyridine
CID 89419790
8,8a-Dihydroquinazoline
CID 123287929
5-but-2-enylidene-4-methyl-4H-pyrimidine
CID 123720032
7,9a-dihydro-3H-1,4-benzodiazepine
CID 123727410
N'-methyl-N-(2-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)methanimidamide
CID 129181532
4-methyl-6-propan-2-yl-4H-1,3-diazepine
CID 129200463
6-Ethyl-4,4-dimethyl-1,3-diazepine
CID 137446249
(2-Ethyl-2,3-dihydropyridin-5-yl)methanamine
CID 139334912
8-Methyl-4a,8a-dihydropyrido[3,2-d]pyrimidine
CID 141782871

Frequently Asked Questions

What is the IUPAC name of 4-but-2-enyl-5-methylidene-4H-pyrimidine?
The IUPAC name of 4-but-2-enyl-5-methylidene-4H-pyrimidine (CID 123267022) is 4-but-2-enyl-5-methylidene-4H-pyrimidine.
What is the SMILES notation for 4-but-2-enyl-5-methylidene-4H-pyrimidine?
The canonical SMILES for 4-but-2-enyl-5-methylidene-4H-pyrimidine is C=C1C=NC=NC1CC=CC.
What is the InChIKey of 4-but-2-enyl-5-methylidene-4H-pyrimidine?
The InChIKey is VDLUUFZWSJJACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-4-5-9-8(2)6-10-7-11-9/h3-4,6-7,9H,2,5H2,1H3.
What are the key properties of 4-but-2-enyl-5-methylidene-4H-pyrimidine?
4-but-2-enyl-5-methylidene-4H-pyrimidine has a molecular weight of 148.21 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-2-enyl-5-methylidene-4H-pyrimidine is sourced from PubChem (CID 123267022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).