1-methyl-2-pent-4-enyl-5,6-dihydro-4H-pyrimidine

C10H18N2 — CID 145436950

IUPAC1-methyl-2-pent-4-enyl-5,6-dihydro-4H-pyrimidine
SMILESC=CCCCC1=NCCCN1C
InChIInChI=1S/C10H18N2/c1-3-4-5-7-10-11-8-6-9-12(10)2/h3H,1,4-9H2,2H3
InChIKeyZQCIBLHINRWBLK-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.08
Rot. Bonds4

About 1-methyl-2-pent-4-enyl-5,6-dihydro-4H-pyrimidine

1-methyl-2-pent-4-enyl-5,6-dihydro-4H-pyrimidine (PubChem CID 145436950) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 1-methyl-2-pent-4-enyl-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name1-methyl-2-pent-4-enyl-5,6-dihydro-4H-pyrimidine
PubChem CID145436950
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name1-methyl-2-pent-4-enyl-5,6-dihydro-4H-pyrimidine
SMILESC=CCCCC1=NCCCN1C
InChIInChI=1S/C10H18N2/c1-3-4-5-7-10-11-8-6-9-12(10)2/h3H,1,4-9H2,2H3
InChIKeyZQCIBLHINRWBLK-UHFFFAOYSA-N
XLogP2.08
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-pent-4-enyl-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 1-methyl-2-pent-4-enyl-5,6-dihydro-4H-pyrimidine (CID 145436950) is 1-methyl-2-pent-4-enyl-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 1-methyl-2-pent-4-enyl-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 1-methyl-2-pent-4-enyl-5,6-dihydro-4H-pyrimidine is C=CCCCC1=NCCCN1C.
What is the InChIKey of 1-methyl-2-pent-4-enyl-5,6-dihydro-4H-pyrimidine?
The InChIKey is ZQCIBLHINRWBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-4-5-7-10-11-8-6-9-12(10)2/h3H,1,4-9H2,2H3.
What are the key properties of 1-methyl-2-pent-4-enyl-5,6-dihydro-4H-pyrimidine?
1-methyl-2-pent-4-enyl-5,6-dihydro-4H-pyrimidine has a molecular weight of 166.27 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-pent-4-enyl-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 145436950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).