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

C19H32N6 — CID 88907781

IUPACmethyl-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]diazene
SMILESCC[C@@H](C)/C=C\C=C(/C)C1=CN=C(N2CCNCC2)N(/N=N/C)C1C
InChIInChI=1S/C19H32N6/c1-6-15(2)8-7-9-16(3)18-14-22-19(24-12-10-21-11-13-24)25(17(18)4)23-20-5/h7-9,14-15,17,21H,6,10-13H2,1-5H3/b8-7-,16-9+,23-20+/t15-,17?/m1/s1
InChIKeyIFCQUOXOJJICKW-LLUCQKJLSA-N
MW344.51 g/mol
LogP3.38
Rot. Bonds5

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

methyl-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]diazene (PubChem CID 88907781) has the molecular formula C19H32N6 and a molecular weight of 344.51 g/mol. Its IUPAC name is methyl-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]diazene.

Molecular Properties

Compound Namemethyl-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]diazene
PubChem CID88907781
Molecular FormulaC19H32N6
Molecular Weight344.51 g/mol
Exact Mass344.27
IUPAC Namemethyl-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]diazene
SMILESCC[C@@H](C)/C=C\C=C(/C)C1=CN=C(N2CCNCC2)N(/N=N/C)C1C
InChIInChI=1S/C19H32N6/c1-6-15(2)8-7-9-16(3)18-14-22-19(24-12-10-21-11-13-24)25(17(18)4)23-20-5/h7-9,14-15,17,21H,6,10-13H2,1-5H3/b8-7-,16-9+,23-20+/t15-,17?/m1/s1
InChIKeyIFCQUOXOJJICKW-LLUCQKJLSA-N
XLogP3.38
TPSA55.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(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
(Z)-N-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-(4-methylpiperazin-1-yl)-4H-pyrimidin-3-yl]ethanimine
CID 88907872
ethane;N-[(1E,3Z,5Z,7E)-8-ethylcycloocta-1,3,5,7-tetraen-1-yl]-N'-methyl-2-propan-2-ylpiperazine-1-carboximidamide
CID 143604854
N-(2-ethylcycloocta-1,3,5,7-tetraen-1-yl)-N'-methyl-2-propan-2-ylpiperazine-1-carboximidamide
CID 143604855

Frequently Asked Questions

What is the IUPAC name of methyl-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]diazene?
The IUPAC name of methyl-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]diazene (CID 88907781) is methyl-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]diazene.
What is the SMILES notation for methyl-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]diazene?
The canonical SMILES for methyl-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]diazene is CC[C@@H](C)/C=C\C=C(/C)C1=CN=C(N2CCNCC2)N(/N=N/C)C1C.
What is the InChIKey of methyl-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]diazene?
The InChIKey is IFCQUOXOJJICKW-LLUCQKJLSA-N. The full InChI is InChI=1S/C19H32N6/c1-6-15(2)8-7-9-16(3)18-14-22-19(24-12-10-21-11-13-24)25(17(18)4)23-20-5/h7-9,14-15,17,21H,6,10-13H2,1-5H3/b8-7-,16-9+,23-20+/t15-,17?/m1/s1.
What are the key properties of methyl-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]diazene?
methyl-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]diazene has a molecular weight of 344.51 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]diazene is sourced from PubChem (CID 88907781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).