5-ethenyl-4-methyl-6-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine;prop-1-yne

C15H24N4 — CID 143058914

IUPAC5-ethenyl-4-methyl-6-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine;prop-1-yne
SMILESC#CC.C=CC1=C(N2CCN(C)CC2)NC=NC1C
InChIInChI=1S/C12H20N4.C3H4/c1-4-11-10(2)13-9-14-12(11)16-7-5-15(3)6-8-16;1-3-2/h4,9-10H,1,5-8H2,2-3H3,(H,13,14);1H,2H3
InChIKeyRPSDHENLYNJCRY-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.29
Rot. Bonds2

About 5-ethenyl-4-methyl-6-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine;prop-1-yne

5-ethenyl-4-methyl-6-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine;prop-1-yne (PubChem CID 143058914) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 5-ethenyl-4-methyl-6-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine;prop-1-yne.

Molecular Properties

Compound Name5-ethenyl-4-methyl-6-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine;prop-1-yne
PubChem CID143058914
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name5-ethenyl-4-methyl-6-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine;prop-1-yne
SMILESC#CC.C=CC1=C(N2CCN(C)CC2)NC=NC1C
InChIInChI=1S/C12H20N4.C3H4/c1-4-11-10(2)13-9-14-12(11)16-7-5-15(3)6-8-16;1-3-2/h4,9-10H,1,5-8H2,2-3H3,(H,13,14);1H,2H3
InChIKeyRPSDHENLYNJCRY-UHFFFAOYSA-N
XLogP1.29
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(4-Ethylpiperazin-1-yl)-4-methyl-1,4-dihydropyrimidine
CID 144696996
5-Ethenyl-4-methyl-6-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine
CID 143058915

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-methyl-6-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine;prop-1-yne?
The IUPAC name of 5-ethenyl-4-methyl-6-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine;prop-1-yne (CID 143058914) is 5-ethenyl-4-methyl-6-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine;prop-1-yne.
What is the SMILES notation for 5-ethenyl-4-methyl-6-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine;prop-1-yne?
The canonical SMILES for 5-ethenyl-4-methyl-6-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine;prop-1-yne is C#CC.C=CC1=C(N2CCN(C)CC2)NC=NC1C.
What is the InChIKey of 5-ethenyl-4-methyl-6-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine;prop-1-yne?
The InChIKey is RPSDHENLYNJCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4.C3H4/c1-4-11-10(2)13-9-14-12(11)16-7-5-15(3)6-8-16;1-3-2/h4,9-10H,1,5-8H2,2-3H3,(H,13,14);1H,2H3.
What are the key properties of 5-ethenyl-4-methyl-6-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine;prop-1-yne?
5-ethenyl-4-methyl-6-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine;prop-1-yne has a molecular weight of 260.38 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-methyl-6-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine;prop-1-yne is sourced from PubChem (CID 143058914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).