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

C12H20N4 — CID 143058915

IUPAC5-ethenyl-4-methyl-6-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine
SMILESC=CC1=C(N2CCN(C)CC2)NC=NC1C
InChIInChI=1S/C12H20N4/c1-4-11-10(2)13-9-14-12(11)16-7-5-15(3)6-8-16/h4,9-10H,1,5-8H2,2-3H3,(H,13,14)
InChIKeyGOCZIKWIQNNSAO-UHFFFAOYSA-N
MW220.32 g/mol
LogP0.65
Rot. Bonds2

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

5-ethenyl-4-methyl-6-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine (PubChem CID 143058915) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-ethenyl-4-methyl-6-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine.

Molecular Properties

Compound Name5-ethenyl-4-methyl-6-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine
PubChem CID143058915
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name5-ethenyl-4-methyl-6-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine
SMILESC=CC1=C(N2CCN(C)CC2)NC=NC1C
InChIInChI=1S/C12H20N4/c1-4-11-10(2)13-9-14-12(11)16-7-5-15(3)6-8-16/h4,9-10H,1,5-8H2,2-3H3,(H,13,14)
InChIKeyGOCZIKWIQNNSAO-UHFFFAOYSA-N
XLogP0.65
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-methyl-6-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine?
The IUPAC name of 5-ethenyl-4-methyl-6-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine (CID 143058915) is 5-ethenyl-4-methyl-6-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine.
What is the SMILES notation for 5-ethenyl-4-methyl-6-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine?
The canonical SMILES for 5-ethenyl-4-methyl-6-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine is 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?
The InChIKey is GOCZIKWIQNNSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-4-11-10(2)13-9-14-12(11)16-7-5-15(3)6-8-16/h4,9-10H,1,5-8H2,2-3H3,(H,13,14).
What are the key properties of 5-ethenyl-4-methyl-6-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine?
5-ethenyl-4-methyl-6-(4-methylpiperazin-1-yl)-1,4-dihydropyrimidine has a molecular weight of 220.32 g/mol, XLogP of 0.65, 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 is sourced from PubChem (CID 143058915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).