(Z)-N-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]ethanimine

C20H33N5 — CID 88907733

IUPAC(Z)-N-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]ethanimine
SMILESC/C=N\N1C(N2CCNCC2)=NC=C(/C(C)=C/C=C\[C@H](C)CC)C1C
InChIInChI=1S/C20H33N5/c1-6-16(3)9-8-10-17(4)19-15-22-20(24-13-11-21-12-14-24)25(18(19)5)23-7-2/h7-10,15-16,18,21H,6,11-14H2,1-5H3/b9-8-,17-10+,23-7-/t16-,18?/m1/s1
InChIKeyYBHBSUJUJALCQM-JLTHCUGCSA-N
MW343.52 g/mol
LogP3.39
Rot. Bonds5

About (Z)-N-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]ethanimine

(Z)-N-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]ethanimine (PubChem CID 88907733) has the molecular formula C20H33N5 and a molecular weight of 343.52 g/mol. Its IUPAC name is (Z)-N-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]ethanimine.

Molecular Properties

Compound Name(Z)-N-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]ethanimine
PubChem CID88907733
Molecular FormulaC20H33N5
Molecular Weight343.52 g/mol
Exact Mass343.27
IUPAC Name(Z)-N-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]ethanimine
SMILESC/C=N\N1C(N2CCNCC2)=NC=C(/C(C)=C/C=C\[C@H](C)CC)C1C
InChIInChI=1S/C20H33N5/c1-6-16(3)9-8-10-17(4)19-15-22-20(24-13-11-21-12-14-24)25(18(19)5)23-7-2/h7-10,15-16,18,21H,6,11-14H2,1-5H3/b9-8-,17-10+,23-7-/t16-,18?/m1/s1
InChIKeyYBHBSUJUJALCQM-JLTHCUGCSA-N
XLogP3.39
TPSA43.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (Z)-N-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]ethanimine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]ethanimine?
The IUPAC name of (Z)-N-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]ethanimine (CID 88907733) is (Z)-N-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]ethanimine.
What is the SMILES notation for (Z)-N-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]ethanimine?
The canonical SMILES for (Z)-N-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]ethanimine is C/C=N\N1C(N2CCNCC2)=NC=C(/C(C)=C/C=C\[C@H](C)CC)C1C.
What is the InChIKey of (Z)-N-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]ethanimine?
The InChIKey is YBHBSUJUJALCQM-JLTHCUGCSA-N. The full InChI is InChI=1S/C20H33N5/c1-6-16(3)9-8-10-17(4)19-15-22-20(24-13-11-21-12-14-24)25(18(19)5)23-7-2/h7-10,15-16,18,21H,6,11-14H2,1-5H3/b9-8-,17-10+,23-7-/t16-,18?/m1/s1.
What are the key properties of (Z)-N-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]ethanimine?
(Z)-N-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]ethanimine has a molecular weight of 343.52 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]ethanimine is sourced from PubChem (CID 88907733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).