6-[(3R)-3,4-dimethylpiperazin-1-yl]-4-[(Z)-prop-1-enyl]-1,4,5,6-tetrahydropyrimidine

C13H24N4 — CID 90453784

IUPAC6-[(3R)-3,4-dimethylpiperazin-1-yl]-4-[(Z)-prop-1-enyl]-1,4,5,6-tetrahydropyrimidine
SMILESC/C=C\C1CC(N2CCN(C)[C@H](C)C2)NC=N1
InChIInChI=1S/C13H24N4/c1-4-5-12-8-13(15-10-14-12)17-7-6-16(3)11(2)9-17/h4-5,10-13H,6-9H2,1-3H3,(H,14,15)/b5-4-/t11-,12?,13?/m1/s1
InChIKeyXKELHUBCOHGEQL-UTQWEBIMSA-N
MW236.36 g/mol
LogP0.91
Rot. Bonds2

About 6-[(3R)-3,4-dimethylpiperazin-1-yl]-4-[(Z)-prop-1-enyl]-1,4,5,6-tetrahydropyrimidine

6-[(3R)-3,4-dimethylpiperazin-1-yl]-4-[(Z)-prop-1-enyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 90453784) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 6-[(3R)-3,4-dimethylpiperazin-1-yl]-4-[(Z)-prop-1-enyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name6-[(3R)-3,4-dimethylpiperazin-1-yl]-4-[(Z)-prop-1-enyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID90453784
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name6-[(3R)-3,4-dimethylpiperazin-1-yl]-4-[(Z)-prop-1-enyl]-1,4,5,6-tetrahydropyrimidine
SMILESC/C=C\C1CC(N2CCN(C)[C@H](C)C2)NC=N1
InChIInChI=1S/C13H24N4/c1-4-5-12-8-13(15-10-14-12)17-7-6-16(3)11(2)9-17/h4-5,10-13H,6-9H2,1-3H3,(H,14,15)/b5-4-/t11-,12?,13?/m1/s1
InChIKeyXKELHUBCOHGEQL-UTQWEBIMSA-N
XLogP0.91
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3,4-dimethylpiperazin-1-yl]-4-[(Z)-prop-1-enyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 6-[(3R)-3,4-dimethylpiperazin-1-yl]-4-[(Z)-prop-1-enyl]-1,4,5,6-tetrahydropyrimidine (CID 90453784) is 6-[(3R)-3,4-dimethylpiperazin-1-yl]-4-[(Z)-prop-1-enyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 6-[(3R)-3,4-dimethylpiperazin-1-yl]-4-[(Z)-prop-1-enyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 6-[(3R)-3,4-dimethylpiperazin-1-yl]-4-[(Z)-prop-1-enyl]-1,4,5,6-tetrahydropyrimidine is C/C=C\C1CC(N2CCN(C)[C@H](C)C2)NC=N1.
What is the InChIKey of 6-[(3R)-3,4-dimethylpiperazin-1-yl]-4-[(Z)-prop-1-enyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is XKELHUBCOHGEQL-UTQWEBIMSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-5-12-8-13(15-10-14-12)17-7-6-16(3)11(2)9-17/h4-5,10-13H,6-9H2,1-3H3,(H,14,15)/b5-4-/t11-,12?,13?/m1/s1.
What are the key properties of 6-[(3R)-3,4-dimethylpiperazin-1-yl]-4-[(Z)-prop-1-enyl]-1,4,5,6-tetrahydropyrimidine?
6-[(3R)-3,4-dimethylpiperazin-1-yl]-4-[(Z)-prop-1-enyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 236.36 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3,4-dimethylpiperazin-1-yl]-4-[(Z)-prop-1-enyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 90453784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).