4-methyl-2-[(2E)-2-[(4E)-4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]hexan-3-ylidene]hydrazinyl]-1H-pyrimidin-6-one

C16H22N8O2 — CID 135675976

IUPAC4-methyl-2-[(2E)-2-[(4E)-4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]hexan-3-ylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCCC(=N\Nc1nc(C)cc(=O)[nH]1)/C(CC)=N/Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C16H22N8O2/c1-5-11(21-23-15-17-9(3)7-13(25)19-15)12(6-2)22-24-16-18-10(4)8-14(26)20-16/h7-8H,5-6H2,1-4H3,(H2,17,19,23,25)(H2,18,20,24,26)/b21-11+,22-12+
InChIKeyYFVCYZINORLWRB-XHQRYOPUSA-N
MW358.41 g/mol
LogP1.53
Rot. Bonds7

About 4-methyl-2-[(2E)-2-[(4E)-4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]hexan-3-ylidene]hydrazinyl]-1H-pyrimidin-6-one

4-methyl-2-[(2E)-2-[(4E)-4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]hexan-3-ylidene]hydrazinyl]-1H-pyrimidin-6-one (PubChem CID 135675976) has the molecular formula C16H22N8O2 and a molecular weight of 358.41 g/mol. Its IUPAC name is 4-methyl-2-[(2E)-2-[(4E)-4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]hexan-3-ylidene]hydrazinyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(2E)-2-[(4E)-4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]hexan-3-ylidene]hydrazinyl]-1H-pyrimidin-6-one
PubChem CID135675976
Molecular FormulaC16H22N8O2
Molecular Weight358.41 g/mol
Exact Mass358.19
IUPAC Name4-methyl-2-[(2E)-2-[(4E)-4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]hexan-3-ylidene]hydrazinyl]-1H-pyrimidin-6-one
SMILESCCC(=N\Nc1nc(C)cc(=O)[nH]1)/C(CC)=N/Nc1nc(C)cc(=O)[nH]1
InChIInChI=1S/C16H22N8O2/c1-5-11(21-23-15-17-9(3)7-13(25)19-15)12(6-2)22-24-16-18-10(4)8-14(26)20-16/h7-8H,5-6H2,1-4H3,(H2,17,19,23,25)(H2,18,20,24,26)/b21-11+,22-12+
InChIKeyYFVCYZINORLWRB-XHQRYOPUSA-N
XLogP1.53
TPSA140.28 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2E)-2-[(4E)-4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]hexan-3-ylidene]hydrazinyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(2E)-2-[(4E)-4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]hexan-3-ylidene]hydrazinyl]-1H-pyrimidin-6-one (CID 135675976) is 4-methyl-2-[(2E)-2-[(4E)-4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]hexan-3-ylidene]hydrazinyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(2E)-2-[(4E)-4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]hexan-3-ylidene]hydrazinyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(2E)-2-[(4E)-4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]hexan-3-ylidene]hydrazinyl]-1H-pyrimidin-6-one is CCC(=N\Nc1nc(C)cc(=O)[nH]1)/C(CC)=N/Nc1nc(C)cc(=O)[nH]1.
What is the InChIKey of 4-methyl-2-[(2E)-2-[(4E)-4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]hexan-3-ylidene]hydrazinyl]-1H-pyrimidin-6-one?
The InChIKey is YFVCYZINORLWRB-XHQRYOPUSA-N. The full InChI is InChI=1S/C16H22N8O2/c1-5-11(21-23-15-17-9(3)7-13(25)19-15)12(6-2)22-24-16-18-10(4)8-14(26)20-16/h7-8H,5-6H2,1-4H3,(H2,17,19,23,25)(H2,18,20,24,26)/b21-11+,22-12+.
What are the key properties of 4-methyl-2-[(2E)-2-[(4E)-4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]hexan-3-ylidene]hydrazinyl]-1H-pyrimidin-6-one?
4-methyl-2-[(2E)-2-[(4E)-4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]hexan-3-ylidene]hydrazinyl]-1H-pyrimidin-6-one has a molecular weight of 358.41 g/mol, XLogP of 1.53, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2E)-2-[(4E)-4-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]hexan-3-ylidene]hydrazinyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135675976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).